Molecule

ID:40803

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₂
Molecular Mass
237.25334
Exact Mass
237.0789786
Charge
0
InChI
InChI=1S/C15H11NO2/c17-15(18)14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9,16H,(H,17,18)
InChIKey
FEYRMXBCLPKSIJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1[nH]c2c(c1c1ccccc1)cccc2
Isomeric Smiles
c1([nH]c2c(c1c1ccccc1)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5724542
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3748975
LogD (pH = 7.4)
-0.05563585
Log P
3.2968173
Molar Refractivity
69.4144
Polarizability
28.910606
Polar Surface Area
53.09
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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