Molecule

ID:63821

General Information
Structure
MolImage
Molecular Formula
C₅H₅Cl₂N₃
Molecular Mass
178.0193
Exact Mass
176.98605254
Charge
0
InChI
InChI=1S/C5H5Cl2N3/c1-2-3(8)4(6)10-5(7)9-2/h8H2,1H3
InChIKey
FDMMHWIFYCXEOF-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(C)c(c(n1)Cl)N
Isomeric Smiles
n1c(c(c(nc1Cl)C)N)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0849515
LogD (pH = 7.4)
1.0849519
Log P
1.0849519
Molar Refractivity
43.3789
Polarizability
15.505088
Polar Surface Area
51.8
Rotatable Bonds
0
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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