Molecule

ID:68262

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₄
Molecular Mass
154.55712
Exact Mass
154.0046238
Charge
0
InChI
InChI=1S/C5H3ClN4/c6-4-1-5-7-2-9-10(5)3-8-4/h1-3H
InChIKey
UUPWDQWNBXLWRN-UHFFFAOYSA-N
Canonic Smiles
Clc1ncn2c(c1)ncn2
Isomeric Smiles
c1n2c(cc(n1)Cl)ncn2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.79051447
LogD (pH = 7.4)
0.79067284
Log P
0.7906748
Molar Refractivity
48.8138
Polarizability
13.556161
Polar Surface Area
43.08
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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