Molecule

ID:128515

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-10-8-7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey
SASNBVQSOZSTPD-UHFFFAOYSA-N
Canonic Smiles
CNCCc1ccccc1
Isomeric Smiles
N(CCc1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4041611
LogD (pH = 7.4)
-0.790327
Log P
1.8202559
Molar Refractivity
44.061
Polarizability
17.364784
Polar Surface Area
12.03
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