Molecule

ID:61661

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N₅
Molecular Mass
191.23302
Exact Mass
191.11709544
Charge
0
InChI
InChI=1S/C9H13N5/c1-9(2,3)14-8-6(4-13-14)7(10)11-5-12-8/h4-5H,1-3H3,(H2,10,11,12)
InChIKey
VAJUWSKUVHLSQA-UHFFFAOYSA-N
Canonic Smiles
Nc1ncnc2c1cnn2C(C)(C)C
Isomeric Smiles
n1(c2c(cn1)c(ncn2)N)C(C)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.41796872
LogD (pH = 7.4)
0.61653626
Log P
0.6834267
Molar Refractivity
66.7255
Polarizability
20.615492
Polar Surface Area
69.62
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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