Molecule

ID:92262

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁N
Molecular Mass
169.22244
Exact Mass
169.08914936
Charge
0
InChI
InChI=1S/C12H11N/c1-2-6-11(7-3-1)10-12-8-4-5-9-13-12/h1-9H,10H2
InChIKey
PCFUWBOSXMKGIP-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)Cc1ccccn1
Isomeric Smiles
n1c(cccc1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.634983
LogD (pH = 7.4)
2.7200735
Log P
2.7212834
Molar Refractivity
53.2145
Polarizability
20.848146
Polar Surface Area
12.89
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