Molecule

ID:35529

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3
InChIKey
FGXZWMCBNMMYPL-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)C=O
Isomeric Smiles
O=Cc1ccc(cc1)OCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4074073
LogD (pH = 7.4)
2.4074073
Log P
2.4074073
Molar Refractivity
48.3778
Polarizability
18.41989
Polar Surface Area
26.3
Rotatable Bonds
4
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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