Molecule

ID:55767

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClN₅
Molecular Mass
185.61422
Exact Mass
185.04682296
Charge
0
InChI
InChI=1S/C6H7N5.ClH/c1-4-2-3-11-5(7)9-10-6(11)8-4;/h2-3H,1H3,(H2,7,9);1H
InChIKey
HZVLIQBVRKHSAG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn2c(n1)nnc2N.Cl
Isomeric Smiles
n12c(nnc1N)nc(cc2)C.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1667608
LogD (pH = 7.4)
-1.1664662
Log P
-1.1664625
Molar Refractivity
43.771
Polarizability
14.466269
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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