Molecule

ID:70854

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClN₃
Molecular Mass
143.57424
Exact Mass
143.02502489
Charge
0
InChI
InChI=1S/C5H6ClN3/c1-3-4(7)2-8-5(6)9-3/h2H,7H2,1H3
InChIKey
RZAKVHVZRSQZEQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(n1)C)N
Isomeric Smiles
c1(nc(c(cn1)N)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.26072887
LogD (pH = 7.4)
0.26073
Log P
0.26073003
Molar Refractivity
37.5128
Polarizability
13.480351
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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