Molecule
ID:86217
General Information
Molecular Formula
CH₉ClN₆
Molecular Mass
140.57536
Exact Mass
140.057722
Charge
0
InChI
InChI=1S/CH8N6.ClH/c2-5-1(6-3)7-4;/h2-4H2,(H2,5,6,7);1H
InChIKey
OJUDFURAIYFYBP-UHFFFAOYSA-N
Canonic Smiles
NNC(=NN)NN.Cl
Isomeric Smiles
N(=C(NN)NN)N.Cl
Calculated Properties
JChem
H Acceptors
6
H Donor
5
LogD (pH = 5.5)
-4.4347405
LogD (pH = 7.4)
-4.1081543
Log P
-1.9965994
Molar Refractivity
49.8818
Polarizability
9.915395
Polar Surface Area
114.48
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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