Molecule

ID:111512

General Information
Structure
MolImage
Molecular Formula
C₉H₂₁N
Molecular Mass
143.26974
Exact Mass
143.16739968
Charge
0
InChI
InChI=1S/C9H21N/c1-4-7-10(8-5-2)9-6-3/h4-9H2,1-3H3
InChIKey
YFTHZRPMJXBUME-UHFFFAOYSA-N
Canonic Smiles
CCCN(CCC)CCC
Isomeric Smiles
CCCN(CCC)CCC
Calculated Properties
JChem
LogD (pH = 7.4)
-0.33
LogD (pH = 5.5)
-0.67
Log P
2.83
Rotatable Bonds
6
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
10.82
Polar Surface Area
3.24
Polarizability
19.62
Molar Refractivity
47.81
LOG S
-1.46
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