Molecule

ID:131323

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₂
Molecular Mass
164.20108
Exact Mass
164.08372962
Charge
0
InChI
InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
InChIKey
WSJNYOVBJSOQST-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc(c1)C
Isomeric Smiles
CCOC(=O)c1cccc(c1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8469522
LogD (pH = 7.4)
2.8469522
Log P
2.8469522
Molar Refractivity
47.8731
Polarizability
18.350658
Polar Surface Area
26.3
Rotatable Bonds
3
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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