Molecule

ID:73855

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClN₄O
Molecular Mass
210.62038
Exact Mass
210.03083854
Charge
0
InChI
InChI=1S/C8H7ClN4O/c9-6-2-1-3-7-11-5(4-13(6)7)8(14)12-10/h1-4H,10H2,(H,12,14)
InChIKey
BAHXRQQRIQTGNE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cn2c(n1)cccc2Cl
Isomeric Smiles
n12c(nc(c1)C(=O)NN)cccc2Cl
Calculated Properties
JChem
Acid pKa
14.11298
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.015137147
LogD (pH = 7.4)
0.01857556
Log P
0.018619683
Molar Refractivity
53.9328
Polarizability
19.538198
Polar Surface Area
72.42
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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