Molecule

ID:117297

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₂
Molecular Mass
238.2414
Exact Mass
238.07422757
Charge
0
InChI
InChI=1S/C14H10N2O2/c17-14(18)10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H,(H,17,18)
InChIKey
QTVKJLNIUBHSTK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)ncn2c1ccccc1
Isomeric Smiles
n1(cnc2c1ccc(C(=O)O)c2)c1ccccc1
Calculated Properties
JChem
Acid pKa
2.3197725
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.65399617
LogD (pH = 7.4)
-0.80247056
Log P
0.918087
Molar Refractivity
77.2183
Polarizability
27.266424
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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