Molecule

ID:62742

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClN₂O₂
Molecular Mass
286.71304
Exact Mass
286.05090528
Charge
0
InChI
InChI=1S/C15H11ClN2O2/c16-11-7-5-10(6-8-11)9-18-14(15(19)20)12-3-1-2-4-13(12)17-18/h1-8H,9H2,(H,19,20)
InChIKey
AVOXZQVCIJTFOM-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Cn1nc2c(c1C(=O)O)cccc2
Isomeric Smiles
c1(n(nc2c1cccc2)Cc1ccc(Cl)cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.222881
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4258543
LogD (pH = 7.4)
0.24102876
Log P
3.6825347
Molar Refractivity
87.5907
Polarizability
30.199581
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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