Molecule

ID:51735

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅ClN₂O
Molecular Mass
204.6125
Exact Mass
204.00904047
Charge
0
InChI
InChI=1S/C10H5ClN2O/c11-10-7(6-12)3-4-8(13-10)9-2-1-5-14-9/h1-5H
InChIKey
HMPRWDLTTCZMAY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(nc1Cl)c1ccco1
Isomeric Smiles
n1c(c(C#N)ccc1c1occc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5292137
LogD (pH = 7.4)
2.5292137
Log P
2.5292137
Molar Refractivity
52.6439
Polarizability
21.034803
Polar Surface Area
49.82
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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