Molecule

ID:75157

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey
APYJGQZXCGXMGB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1cccc(c1)C(=O)O
Isomeric Smiles
OC(=O)c1cc(ccc1)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
3.9990435
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2810755
LogD (pH = 7.4)
0.63185716
Log P
3.7914755
Molar Refractivity
63.4916
Polarizability
25.406656
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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