Molecule

ID:115061

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇N₅O
Molecular Mass
283.32838
Exact Mass
283.14331019
Charge
0
InChI
InChI=1S/C15H17N5O/c1-9-8-13(18-16)20-15(17-9)14(10(2)19-20)11-4-6-12(21-3)7-5-11/h4-8,18H,16H2,1-3H3
InChIKey
JMQBYLGRBQGXIZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1c(C)nn2c1nc(C)cc2NN
Isomeric Smiles
n12c(c(c(n1)C)c1ccc(cc1)OC)nc(cc2NN)C
Calculated Properties
JChem
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.8071225
LogD (pH = 7.4)
1.8851101
Log P
1.8862007
Molar Refractivity
93.516
Polarizability
31.941675
Polar Surface Area
77.47
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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