Molecule

ID:31345

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O₂
Molecular Mass
267.28262
Exact Mass
267.10077667
Charge
0
InChI
InChI=1S/C15H13N3O2/c1-10-6-7-16-18(10)9-11-8-13(15(19)20)12-4-2-3-5-14(12)17-11/h2-8H,9H2,1H3,(H,19,20)
InChIKey
OKRIIXQGYJWTIZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(Cn2nccc2C)nc2c1cccc2
Isomeric Smiles
n1(nccc1C)Cc1nc2c(c(C(=O)O)c1)cccc2
Calculated Properties
JChem
Acid pKa
3.608366
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.2919857
LogD (pH = 7.4)
-1.1331713
Log P
1.9989446
Molar Refractivity
85.379
Polarizability
29.19518
Polar Surface Area
68.01
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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