Molecule

ID:82491

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N₅
Molecular Mass
191.23302
Exact Mass
191.11709544
Charge
0
InChI
InChI=1S/C9H13N5/c1-5-4-7(12-10)11-9-8(5)6(2)13-14(9)3/h4H,10H2,1-3H3,(H,11,12)
InChIKey
NDFXPLOECYNSHX-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(NN)nc2c1c(C)nn2C
Isomeric Smiles
n1(c2c(c(cc(n2)NN)C)c(n1)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.11413154
LogD (pH = 7.4)
1.0187662
Log P
1.2006651
Molar Refractivity
68.7377
Polarizability
20.92473
Polar Surface Area
68.76
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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