Molecule

ID:75156

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
ZSTUEICKYWFYIC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1ccccc1C(=O)O
Isomeric Smiles
OC(=O)c1ccccc1c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
3.6857553
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9789075
LogD (pH = 7.4)
0.4803192
Log P
3.7914755
Molar Refractivity
63.4916
Polarizability
25.411743
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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