Molecule

ID:57037

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂O₂
Molecular Mass
278.30526
Exact Mass
278.1055277
Charge
0
InChI
InChI=1S/C17H14N2O2/c1-10-2-7-15-13(8-10)14(17(20)21)9-16(19-15)11-3-5-12(18)6-4-11/h2-9H,18H2,1H3,(H,20,21)
InChIKey
GUTTZAVDCVHQSY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)O)C
Isomeric Smiles
c1(ccc2c(c1)c(cc(n2)c1ccc(cc1)N)C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.8781533
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.5944703
LogD (pH = 7.4)
0.15892236
Log P
2.8184552
Molar Refractivity
81.7413
Polarizability
33.186802
Polar Surface Area
76.21
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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