Molecule

ID:57456

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₂
Molecular Mass
210.228
Exact Mass
210.06807956
Charge
0
InChI
InChI=1S/C14H10O2/c15-14(16)12-7-3-5-10-8-9-4-1-2-6-11(9)13(10)12/h1-7H,8H2,(H,15,16)
InChIKey
WJNBLUOXTBTGMB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1c1ccccc1C2
Isomeric Smiles
c1ccc2c(c1)Cc1c2c(ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.663571
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5626069
LogD (pH = 7.4)
0.07681772
Log P
3.3966024
Molar Refractivity
62.1296
Polarizability
24.667519
Polar Surface Area
37.3
Rotatable Bonds
1
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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