Molecule

ID:88568

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄O
Molecular Mass
190.2019
Exact Mass
190.08546096
Charge
0
InChI
InChI=1S/C9H10N4O/c1-5-4-8-10-11-9(7(3)14)6(2)13(8)12-5/h4H,1-3H3
InChIKey
PQIOJSDFJAOESL-UHFFFAOYSA-N
Canonic Smiles
Cc1nn2c(c1)nnc(c2C)C(=O)C
Isomeric Smiles
n1nc(c(n2c1cc(n2)C)C)C(=O)C
Calculated Properties
JChem
Acid pKa
14.320353
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.052476525
LogD (pH = 7.4)
-0.052369412
Log P
-0.052367993
Molar Refractivity
63.4089
Polarizability
18.822088
Polar Surface Area
60.15
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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