Molecule

ID:58009

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₅O
Molecular Mass
191.18996
Exact Mass
191.08070993
Charge
0
InChI
InChI=1S/C8H9N5O/c9-12-8-11-6-4-2-1-3-5(6)7(14)13(8)10/h1-4H,9-10H2,(H,11,12)
InChIKey
XVRQEQRJAXBHPD-UHFFFAOYSA-N
Canonic Smiles
NNc1nc2ccccc2c(=O)n1N
Isomeric Smiles
n1(c(nc2c(c1=O)cccc2)NN)N
Calculated Properties
JChem
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-0.28106633
LogD (pH = 7.4)
-0.03502989
Log P
-0.031056419
Molar Refractivity
65.6497
Polarizability
18.998606
Polar Surface Area
96.74
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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