Molecule

ID:34374

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c14-11(15)8-13-7-6-10(12-13)9-4-2-1-3-5-9/h1-7H,8H2,(H,14,15)
InChIKey
WLGJCAOQGPHLPW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1ccc(n1)c1ccccc1
Isomeric Smiles
n1(ccc(n1)c1ccccc1)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.119021
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5122681
LogD (pH = 7.4)
-1.1774782
Log P
1.9121649
Molar Refractivity
65.8102
Polarizability
22.27303
Polar Surface Area
55.12
Rotatable Bonds
3
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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