Molecule

ID:104563

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁N
Molecular Mass
121.17964
Exact Mass
121.08914936
Charge
0
InChI
InChI=1S/C8H11N/c1-2-5-8-6-3-4-7-9-8/h3-4,6-7H,2,5H2,1H3
InChIKey
OIALIKXMLIAOSN-UHFFFAOYSA-N
Canonic Smiles
CCCc1ccccn1
Isomeric Smiles
CCCc1ccccn1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6974261
LogD (pH = 7.4)
2.0254726
Log P
2.032048
Molar Refractivity
37.7205
Polarizability
14.901955
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