Chemical Properties of SCHEMBL9488362

SCHEMBL9488362

InChI
InChI=1S/C18H21NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3-6,13-14,21H,7-10H2,1-2H3
InChI Key
SLJDAVMWFVYEFI-UHFFFAOYSA-N
Formula
C18H21NO3
SMILES
COc1ccc2c(c1O)C13CCN(C)C(C2)C1C=CC(=O)C3
Molecular Weight1
299.37
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Physical Properties

Property Value Unit Source
ω 0.6862 Relay (1.0) Calculated Property
ΔfG° 18.90 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -275.41 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 125.13 kJ/mol Relay (1.0) Calculated Property
IE 7.83 eV Relay (1.0) Calculated Property
log10WS -1.87 Aq. Solubility Prediction
logPoct/wat 2.044 Crippen Calculated Property
McVol 227.130 ml/mol McGowan Calculated Property
Pc 2298.19 kPa Relay (1.0-beta) Calculated Property
Tboil 658.11 K Relay (1.0) Calculated Property
Tc 964.71 K Relay (1.0) Calculated Property
Tfus 424.65 K Aq. Solubility Prediction
Vc 0.801 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Prajmaline. [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»)-. Benzylmorphine. Thymidine, 3'-O-acetyl, 5'-O-cyclotetramethylene-tertbutylsilyl. TCN. Norcodeine. QUINIDINE, M(HO-), AC. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Dihydroergokryptine. Nicocodine. 9H-purine-6(1h)-thione, 2-amino-9-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate.

Find more compounds similar to SCHEMBL9488362.

Sources

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