Molecule

ID:111032

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁N
Molecular Mass
193.24384
Exact Mass
193.08914936
Charge
0
InChI
InChI=1S/C14H11N/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h2-10H,1H2
InChIKey
KKFHAJHLJHVUDM-UHFFFAOYSA-N
Canonic Smiles
C=Cn1c2ccccc2c2c1cccc2
Isomeric Smiles
C=Cn1c2c(cccc2)c2c1cccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.819236
LogD (pH = 7.4)
3.819236
Log P
3.819236
Molar Refractivity
62.0611
Polarizability
26.891096
Polar Surface Area
4.93
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...