Molecule

ID:13140

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₄O
Molecular Mass
268.31374
Exact Mass
268.13241115
Charge
0
InChI
InChI=1S/C15H16N4O/c1-3-20-12-6-4-11(5-7-12)19-17-14-8-10(2)13(16)9-15(14)18-19/h4-9H,3,16H2,1-2H3
InChIKey
CJWZEJBAZIUQNX-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)n1nc2c(n1)cc(c(c2)N)C
Isomeric Smiles
c1(cc2c(cc1C)nn(n2)c1ccc(cc1)OCC)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.776914
LogD (pH = 7.4)
2.7771964
Log P
2.7772
Molar Refractivity
90.3272
Polarizability
31.310154
Polar Surface Area
65.96
Rotatable Bonds
3
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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