Molecule

ID:67034

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₄
Molecular Mass
154.55712
Exact Mass
154.0046238
Charge
0
InChI
InChI=1S/C5H3ClN4/c6-4-5-9-8-3-10(5)2-1-7-4/h1-3H
InChIKey
VKZJRJVVFDDJKP-UHFFFAOYSA-N
Canonic Smiles
Clc1nccn2c1nnc2
Isomeric Smiles
c12c(nccn1cnn2)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.594414
LogD (pH = 7.4)
-0.59435356
Log P
-0.5943528
Molar Refractivity
39.8618
Polarizability
13.593859
Polar Surface Area
43.08
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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