Molecule

ID:58267

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅N
Molecular Mass
113.2007
Exact Mass
113.12044949
Charge
0
InChI
InChI=1S/C7H15N/c1-7(2)8-5-3-4-6-8/h7H,3-6H2,1-2H3
InChIKey
YQOPNAOQGQSUHF-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCCC1)C
Isomeric Smiles
C1CCCN1C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-2.120417
LogD (pH = 7.4)
-1.6332173
Log P
1.36935
Molar Refractivity
36.6965
Polarizability
14.445701
Polar Surface Area
3.24
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...