Molecule

ID:8796

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N
Molecular Mass
207.27042
Exact Mass
207.10479942
Charge
0
InChI
InChI=1S/C15H13N/c1-15(12-16,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey
DPVHBXFSKLKYIQ-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1ccccc1)(c1ccccc1)C
Isomeric Smiles
c1c(cccc1)C(c1ccccc1)(C#N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9017475
LogD (pH = 7.4)
3.9017475
Log P
3.9017475
Molar Refractivity
76.0098
Polarizability
25.349623
Polar Surface Area
23.79
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