Molecule

ID:120972

General Information
Structure
MolImage
Molecular Formula
C₄H₆Cl₂N₂
Molecular Mass
153.00984
Exact Mass
151.99080356
Charge
0
InChI
InChI=1S/C4H5ClN2.ClH/c1-3-4(5)2-6-7-3;/h2H,1H3,(H,6,7);1H
InChIKey
SQNQBQVJVKLBHQ-UHFFFAOYSA-N
Canonic Smiles
Clc1c[nH]nc1C.Cl
Isomeric Smiles
c1(c(n[nH]c1)C)Cl.Cl
Calculated Properties
JChem
Acid pKa
14.374241
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0125865
LogD (pH = 7.4)
1.0128413
Log P
1.0128447
Molar Refractivity
29.1417
Polarizability
10.843079
Polar Surface Area
28.68
Rotatable Bonds
0
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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