Molecule

ID:121514

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄O
Molecular Mass
190.2019
Exact Mass
190.08546096
Charge
0
InChI
InChI=1S/C9H10N4O/c1-14-7-4-2-6(3-5-7)8-11-9(10)13-12-8/h2-5H,1H3,(H3,10,11,12,13)
InChIKey
BKEAHUXWMIWWCP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1n[nH]c(n1)N
Isomeric Smiles
n1c(n[nH]c1N)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
10.547702
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.61450934
LogD (pH = 7.4)
0.6164459
Log P
0.61674714
Molar Refractivity
64.9675
Polarizability
20.180155
Polar Surface Area
76.82
Rotatable Bonds
2
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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