Molecule

ID:110910

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅N
Molecular Mass
113.2007
Exact Mass
113.12044949
Charge
0
InChI
InChI=1S/C7H15N/c1-6-4-2-3-5-7(6)8/h6-7H,2-5,8H2,1H3
InChIKey
FEUISMYEFPANSS-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCC1N
Isomeric Smiles
CC1CCCCC1N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.4896855
LogD (pH = 7.4)
-1.2262532
Log P
1.5387845
Molar Refractivity
35.4046
Polarizability
14.445701
Polar Surface Area
26.02
Rotatable Bonds
0
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