Molecule

ID:115761

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₄O
Molecular Mass
202.2126
Exact Mass
202.08546096
Charge
0
InChI
InChI=1S/C10H10N4O/c1-3-11-4-2-7(1)9-13-10(15-14-9)8-5-12-6-8/h1-4,8,12H,5-6H2
InChIKey
KVZUXIQXZPUEOG-UHFFFAOYSA-N
Canonic Smiles
N1CC(C1)c1onc(n1)c1ccncc1
Isomeric Smiles
n1c(onc1c1ccncc1)C1CNC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5853932
LogD (pH = 7.4)
-1.1274735
Log P
0.59084255
Molar Refractivity
65.2906
Polarizability
21.068443
Polar Surface Area
63.84
Rotatable Bonds
2
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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