Molecule

ID:16157

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClN₃
Molecular Mass
157.60082
Exact Mass
157.04067495
Charge
0
InChI
InChI=1S/C6H7N3.ClH/c7-6(8)5-1-3-9-4-2-5;/h1-4H,(H3,7,8);1H
InChIKey
IONKMFGAXKCLMI-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccncc1.Cl
Isomeric Smiles
C(=N)(c1ccncc1)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.7387516
LogD (pH = 7.4)
-2.6876414
Log P
-0.32395813
Molar Refractivity
45.5736
Polarizability
13.118638
Polar Surface Area
62.76
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
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References
Bioactivity
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