Molecule

ID:75494

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₄
Molecular Mass
194.62098
Exact Mass
194.03592392
Charge
0
InChI
InChI=1S/C8H7ClN4/c1-6-3-13(5-12-6)8-2-7(9)10-4-11-8/h2-5H,1H3
InChIKey
NTJLKUOVJHBYPT-UHFFFAOYSA-N
Canonic Smiles
Cc1ncn(c1)c1ncnc(c1)Cl
Isomeric Smiles
n1cn(c2cc(ncn2)Cl)cc1C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.20566423
LogD (pH = 7.4)
0.8626037
Log P
0.8856
Molar Refractivity
61.4418
Polarizability
18.700697
Polar Surface Area
43.6
Rotatable Bonds
1
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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