Molecule

ID:51792

General Information
Structure
MolImage
Molecular Formula
C₄H₇Cl₂N₃
Molecular Mass
168.02448
Exact Mass
167.0017026
Charge
0
InChI
InChI=1S/C4H6ClN3.ClH/c1-8-3-6-4(2-5)7-8;/h3H,2H2,1H3;1H
InChIKey
KISIDCUHOLGEPR-UHFFFAOYSA-N
Canonic Smiles
ClCc1ncn(n1)C.Cl
Isomeric Smiles
n1c(nn(c1)C)CCl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.73242086
LogD (pH = 7.4)
0.73247296
Log P
0.7324736
Molar Refractivity
43.5131
Polarizability
11.769735
Polar Surface Area
30.71
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
No Data Available
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Molecule Details
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References
Bioactivity
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