Molecule

ID:109812

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃O
Molecular Mass
253.2991
Exact Mass
253.12151212
Charge
0
InChI
InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)
InChIKey
CIKWKGFPFXJVGW-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc2c(c1)c(N)c1c(n2)cc(cc1)N
Isomeric Smiles
CCOc1ccc2nc3cc(N)ccc3c(N)c2c1
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.34966347
LogD (pH = 7.4)
0.37737724
Log P
2.0475123
Molar Refractivity
76.6701
Polarizability
31.169264
Polar Surface Area
74.16
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation