Chemical Properties of difloxacin (CAS 98106-17-3)

difloxacin

InChI
InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)
InChI Key
NOCJXYPHIIZEHN-UHFFFAOYSA-N
Formula
C21H19F2N3O3
SMILES
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1
Molecular Weight1
399.39
CAS
98106-17-3
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ω 1.0545 Relay (1.0) Calculated Property
ΔfG° -146.55 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -528.34 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 153.89 kJ/mol Relay (1.0) Calculated Property
IE 8.01 eV Relay (1.0) Calculated Property
log10WS -3.60 Aq. Solubility Prediction
logPoct/wat 2.719 Crippen Calculated Property
McVol 275.700 ml/mol McGowan Calculated Property
Pc 1254.53 kPa Relay (1.0-beta) Calculated Property
Tboil 774.49 K Relay (1.0) Calculated Property
Tc 1124.72 K Relay (1.0) Calculated Property
Tfus 536.20 K Relay (1.0) Calculated Property
Vc 0.990 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to difloxacin.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.