Molecule

ID:7813

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N
Molecular Mass
159.22762
Exact Mass
159.10479942
Charge
0
InChI
InChI=1S/C11H13N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4H2,1H3
InChIKey
KGZNJCXNPLUEQS-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)C#N
Isomeric Smiles
N#Cc1ccc(cc1)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6764693
LogD (pH = 7.4)
3.6764693
Log P
3.6764693
Molar Refractivity
50.6238
Polarizability
19.483023
Polar Surface Area
23.79
Rotatable Bonds
3
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