Molecule

ID:63648

General Information
Structure
MolImage
Molecular Formula
C₅H₆ClN₃
Molecular Mass
143.57424
Exact Mass
143.02502489
Charge
0
InChI
InChI=1S/C5H6ClN3/c6-5-1-4(2-7)8-3-9-5/h1,3H,2,7H2
InChIKey
JCRPPUPAPVOGRW-UHFFFAOYSA-N
Canonic Smiles
NCc1cc(Cl)ncn1
Isomeric Smiles
n1c(cc(nc1)CN)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5165725
LogD (pH = 7.4)
-0.86294234
Log P
0.081197634
Molar Refractivity
36.5396
Polarizability
13.868492
Polar Surface Area
51.8
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
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Molecule Details
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References
Bioactivity
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