Molecule

ID:68561

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₄
Molecular Mass
158.58888
Exact Mass
158.03592392
Charge
0
InChI
InChI=1S/C5H6N4.ClH/c6-4(7)5-8-2-1-3-9-5;/h1-3H,(H3,6,7);1H
InChIKey
LZIYBABLVXXFGZ-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ncccn1.Cl
Isomeric Smiles
c1(ncccn1)C(=N)N.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.9545622
LogD (pH = 7.4)
-0.27212358
Log P
-0.2501793
Molar Refractivity
44.0557
Polarizability
12.255288
Polar Surface Area
75.65
Rotatable Bonds
1
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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