Molecule

ID:44538

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClN₄O
Molecular Mass
184.5831
Exact Mass
184.01518848
Charge
0
InChI
InChI=1S/C6H5ClN4O/c1-10-6(12)11-5(9-10)3-2-4(7)8-11/h2-3H,1H3
InChIKey
JUZYQQYVGWIFRD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2n(n1)c(=O)n(n2)C
Isomeric Smiles
n12c(=O)n(nc1ccc(n2)Cl)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.83307916
LogD (pH = 7.4)
0.83307916
Log P
0.83307916
Molar Refractivity
44.3412
Polarizability
15.897451
Polar Surface Area
48.27
Rotatable Bonds
0
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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