Molecule

ID:104502

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃N
Molecular Mass
219.28112
Exact Mass
219.10479942
Charge
0
InChI
InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H
InChIKey
KEQFTVQCIQJIQW-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)Nc1ccc2c(c1)cccc2
Isomeric Smiles
N(c1ccccc1)c1ccc2ccccc2c1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.4026437
LogD (pH = 7.4)
4.4026484
Log P
4.4026484
Molar Refractivity
70.9944
Polarizability
28.772638
Polar Surface Area
12.03
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