Molecule

ID:74265

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₅O
Molecular Mass
281.3125
Exact Mass
281.12766013
Charge
0
InChI
InChI=1S/C15H15N5O/c1-10-16-17-15-8-7-14(18-20(10)15)12-5-4-6-13(9-12)19(3)11(2)21/h4-9H,1-3H3
InChIKey
WPAQLESUVYGUJZ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N(c1cccc(c1)c1ccc2n(n1)c(C)nn2)C
Isomeric Smiles
n1c(n2c(n1)ccc(n2)c1cc(ccc1)N(C)C(=O)C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.9502312
LogD (pH = 7.4)
0.9504352
Log P
0.95043784
Molar Refractivity
91.1736
Polarizability
30.944061
Polar Surface Area
63.39
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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