Molecule

ID:120022

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c15-10-13-9-12(6-7-14(13)16)8-11-4-2-1-3-5-11/h1-7,9-10,16H,8H2
InChIKey
FQNZXGZKHKUKRN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(ccc1O)Cc1ccccc1
Isomeric Smiles
c1(c(ccc(c1)Cc1ccccc1)O)C=O
Calculated Properties
JChem
Acid pKa
8.537143
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.123581
LogD (pH = 7.4)
4.0936303
Log P
4.1239767
Molar Refractivity
64.3601
Polarizability
24.19376
Polar Surface Area
37.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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