Molecule

ID:26838

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂
Molecular Mass
128.21534
Exact Mass
128.13134852
Charge
0
InChI
InChI=1S/C7H16N2/c1-7(2)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3
InChIKey
WHKWMTXTYKVFLK-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCNCC1)C
Isomeric Smiles
N1(C(C)C)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1597106
LogD (pH = 7.4)
-1.9110181
Log P
0.42762408
Molar Refractivity
39.9109
Polarizability
15.965017
Polar Surface Area
15.27
Rotatable Bonds
1
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