Molecule

ID:102498

General Information
Structure
MolImage
Molecular Formula
CH₆ClN₃
Molecular Mass
95.53144
Exact Mass
95.02502489
Charge
0
InChI
InChI=1S/CH5N3.ClH/c2-1(3)4;/h(H5,2,3,4);1H
InChIKey
PJJJBBJSCAKJQF-UHFFFAOYSA-N
Canonic Smiles
NC(=N)N.Cl
Isomeric Smiles
Cl.NC(=N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-3.6522877
LogD (pH = 7.4)
-3.6514976
Log P
-1.236839
Molar Refractivity
25.8588
Polarizability
5.61125
Polar Surface Area
75.89
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
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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