Molecule

ID:108075

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅N₃
Molecular Mass
273.3318
Exact Mass
273.1265975
Charge
0
InChI
InChI=1S/C18H15N3/c1-3-7-15(8-4-1)19-16-11-13-18(14-12-16)21-20-17-9-5-2-6-10-17/h1-14,19H
InChIKey
VXLFYNFOITWQPM-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)/N=N/c1ccc(cc1)Nc1ccccc1
Isomeric Smiles
N(c1ccccc1)c1ccc(cc1)/N=N/c1ccccc1
Calculated Properties
JChem
Acid pKa
19.782839
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
5.819042
LogD (pH = 7.4)
5.819065
Log P
5.819065
Molar Refractivity
88.8632
Polarizability
32.345295
Polar Surface Area
36.75
Rotatable Bonds
4
Lipinski's Rule of Five
false
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