Molecule

ID:68950

General Information
Structure
MolImage
Molecular Formula
C₄H₃Cl₂N₃
Molecular Mass
163.99272
Exact Mass
162.97040247
Charge
0
InChI
InChI=1S/C4H3Cl2N3/c5-3-1-2(7)4(6)9-8-3/h1H,(H2,7,8)
InChIKey
HODYDVHWWMTUEL-UHFFFAOYSA-N
Canonic Smiles
Clc1nnc(c(c1)N)Cl
Isomeric Smiles
c1(c(cc(nn1)Cl)N)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.595225
LogD (pH = 7.4)
0.59532
Log P
0.5953212
Molar Refractivity
40.197
Polarizability
13.7395315
Polar Surface Area
51.8
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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