Molecule

ID:5121

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c15-14(16)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H,10H2,(H,15,16)
InChIKey
QRZAKQDHEVVFRX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(cc1)c1ccccc1
Isomeric Smiles
C(C(=O)O)c1ccc(cc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
0.63
LogD (pH = 5.5)
2.41
Log P
3.26
Rotatable Bonds
3
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
4.71
Polar Surface Area
37.30
Polarizability
23.20
Molar Refractivity
62.50
LOG S
-3.49
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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