Molecule

ID:102435

General Information
Structure
Molecular Formula
C₁₈H₂₄O₂
Molecular Mass
272.38196
Exact Mass
272.17763001
Charge
0
InChI
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3
InChIKey
VOXZDWNPVJITMN-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2O)C
Isomeric Smiles
CC12CCC3C(CCc4c3ccc(O)c4)C1CCC2O
Calculated Properties
JChem
Acid pKa
10.327061
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.7454948
LogD (pH = 7.4)
3.7449908
Log P
3.7455013
Molar Refractivity
79.9047
Polarizability
31.30958
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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