Molecule

ID:74009

General Information
Structure
MolImage
Molecular Formula
C₉H₈N₄O
Molecular Mass
188.18602
Exact Mass
188.0698109
Charge
0
InChI
InChI=1S/C9H8N4O/c1-5-4-6-7(11-10-5)2-3-8-9(6)13-14-12-8/h4H,2-3H2,1H3
InChIKey
XCTGVAZZQSNJFW-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc2c(c1)c1nonc1CC2
Isomeric Smiles
n1c2c3cc(nnc3CCc2no1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.16009034
LogD (pH = 7.4)
-0.15995832
Log P
-0.15995663
Molar Refractivity
50.9233
Polarizability
19.195484
Polar Surface Area
64.7
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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