Molecule

ID:25619

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉ClN₂O₂
Molecular Mass
284.69716
Exact Mass
284.03525522
Charge
0
InChI
InChI=1S/C15H9ClN2O2/c16-12-3-1-2-10-11(15(19)20)8-13(18-14(10)12)9-4-6-17-7-5-9/h1-8H,(H,19,20)
InChIKey
MAIRAKWMTLFTER-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1cccc2Cl)c1ccncc1
Isomeric Smiles
n1c2c(c(cc1c1ccncc1)C(=O)O)cccc2Cl
Calculated Properties
JChem
Acid pKa
3.41112
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3641983
LogD (pH = 7.4)
-0.10779257
Log P
2.3651776
Molar Refractivity
74.6476
Polarizability
31.218822
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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