Molecule

ID:88029

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-13-10(11(14)15)7-9(12-13)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
InChIKey
RTBQZMPYPFQBHA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nn1C)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)cc(n1C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2773244
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.19787404
LogD (pH = 7.4)
-1.4201623
Log P
2.0117655
Molar Refractivity
66.8593
Polarizability
22.17779
Polar Surface Area
55.12
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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