Molecule

ID:121438

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₄O
Molecular Mass
254.28716
Exact Mass
254.11676109
Charge
0
InChI
InChI=1S/C14H14N4O/c1-2-19-12-6-4-11(5-7-12)18-16-13-8-3-10(15)9-14(13)17-18/h3-9H,2,15H2,1H3
InChIKey
JCOYWDAMLRGLRJ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)n1nc2c(n1)ccc(c2)N
Isomeric Smiles
n1(nc2c(n1)ccc(c2)N)c1ccc(cc1)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.309509
LogD (pH = 7.4)
2.3099937
Log P
2.31
Molar Refractivity
85.286
Polarizability
29.546005
Polar Surface Area
65.96
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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