Molecule

ID:121700

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀O₂
Molecular Mass
162.1852
Exact Mass
162.06807956
Charge
0
InChI
InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9+/m0/s1
InChIKey
AHDDRJBFJBDEPW-DTWKUNHWSA-N
Canonic Smiles
OC(=O)[C@@H]1C[C@H]1c1ccccc1
Isomeric Smiles
[C@@H]1([C@@H](C1)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.537067
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.970621
LogD (pH = 7.4)
-0.8014964
Log P
1.9772736
Molar Refractivity
44.6865
Polarizability
17.472937
Polar Surface Area
37.3
Rotatable Bonds
2
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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