Molecule

ID:53969

General Information
Structure
MolImage
Molecular Formula
C₆H₇Cl₂N₃
Molecular Mass
192.04588
Exact Mass
191.0017026
Charge
0
InChI
InChI=1S/C6H6ClN3.ClH/c7-5-2-1-4(3-10-5)6(8)9;/h1-3H,(H3,8,9);1H
InChIKey
YGTYZKOUHZFTMC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)C(=N)N.Cl
Isomeric Smiles
n1cc(ccc1Cl)C(=N)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.9125544
LogD (pH = 7.4)
-1.7438904
Log P
0.5002637
Molar Refractivity
51.4397
Polarizability
15.08155
Polar Surface Area
62.76
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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