Molecule

ID:67776

General Information
Structure
MolImage
Molecular Formula
C₄H₇ClN₄
Molecular Mass
146.57818
Exact Mass
146.03592392
Charge
0
InChI
InChI=1S/C4H6N4.ClH/c5-4(6)8-3-1-2-7-8;/h1-3H,(H3,5,6);1H
InChIKey
RBZRMBCLZMEYEH-UHFFFAOYSA-N
Canonic Smiles
NC(=N)n1cccn1.Cl
Isomeric Smiles
n1(nccc1)C(=N)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.023038
LogD (pH = 7.4)
-2.9274862
Log P
-0.60894513
Molar Refractivity
50.9014
Polarizability
10.861246
Polar Surface Area
67.69
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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