Molecule

ID:25632

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉ClN₂O₂
Molecular Mass
284.69716
Exact Mass
284.03525522
Charge
0
InChI
InChI=1S/C15H9ClN2O2/c16-9-4-5-12-10(7-9)11(15(19)20)8-14(18-12)13-3-1-2-6-17-13/h1-8H,(H,19,20)
InChIKey
WPDNUGLTULFDQJ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(cc(n2)c1ccccn1)C(=O)O
Isomeric Smiles
c1(c2c(nc(c1)c1ncccc1)ccc(c2)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6461854
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.6519479
LogD (pH = 7.4)
0.23488586
Log P
3.230842
Molar Refractivity
74.2756
Polarizability
31.199863
Polar Surface Area
63.08
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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