Molecule

ID:135385

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀ClN₅
Molecular Mass
188.6235089
Exact Mass
188.05950792
Charge
0
InChI
InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)/i8+1
InChIKey
DFWFIQKMSFGDCQ-VJJZLTLGSA-N
Canonic Smiles
CC(Nc1nc([15NH2])nc(n1)Cl)C
Isomeric Smiles
CC(C)Nc1nc(nc(n1)Cl)[15NH2]
Calculated Properties
JChem
Acid pKa
14.58442
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.5358521
LogD (pH = 7.4)
1.5390487
Log P
1.5390896
Molar Refractivity
51.9738
Polarizability
17.54558
Polar Surface Area
76.72
Rotatable Bonds
2
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
References
Bioactivity
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