Molecule

ID:75383

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉N
Molecular Mass
203.23866
Exact Mass
203.07349929
Charge
0
InChI
InChI=1S/C15H9N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H
InChIKey
KEQZHLAEKAVZLY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c2ccccc2cc2c1cccc2
Isomeric Smiles
N#Cc1c2c(cc3ccccc13)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8082955
LogD (pH = 7.4)
3.8082955
Log P
3.8082955
Molar Refractivity
64.68
Polarizability
27.482018
Polar Surface Area
23.79
Rotatable Bonds
0
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