Molecule

ID:71600

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClN₅
Molecular Mass
185.61422
Exact Mass
185.04682296
Charge
0
InChI
InChI=1S/C6H7N5.ClH/c1-4-2-3-8-6-9-5(7)10-11(4)6;/h2-3H,1H3,(H2,7,10);1H
InChIKey
XYEIYQKTWPWEIK-UHFFFAOYSA-N
Canonic Smiles
Nc1nn2c(n1)nccc2C.Cl
Isomeric Smiles
c12nc(nn1c(ccn2)C)N.Cl
Calculated Properties
JChem
Acid pKa
14.854921
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.26194218
LogD (pH = 7.4)
0.26197356
Log P
0.26197398
Molar Refractivity
53.401
Polarizability
14.455166
Polar Surface Area
69.1
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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