Molecule

ID:59705

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉ClN₂O₂
Molecular Mass
284.69716
Exact Mass
284.03525522
Charge
0
InChI
InChI=1S/C15H9ClN2O2/c16-11-2-1-3-12-14(11)10(15(19)20)8-13(18-12)9-4-6-17-7-5-9/h1-8H,(H,19,20)
InChIKey
RZBYQPUAEAKDNC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(nc2c1c(Cl)ccc2)c1ccncc1
Isomeric Smiles
c1(c2c(nc(c1)c1ccncc1)cccc2Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3721418
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3257273
LogD (pH = 7.4)
-0.123839654
Log P
2.3635838
Molar Refractivity
74.6476
Polarizability
31.20784
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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