Molecule

ID:74457

General Information
Structure
MolImage
Molecular Formula
C₂₁H₄₅N
Molecular Mass
311.5887
Exact Mass
311.35520045
Charge
0
InChI
InChI=1S/C21H45N/c1-4-7-10-13-16-19-22(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h4-21H2,1-3H3
InChIKey
CLZGJKHEVKJLLS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCN(CCCCCCC)CCCCCCC
Isomeric Smiles
N(CCCCCCC)(CCCCCCC)CCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.668084
LogD (pH = 7.4)
5.003239
Log P
8.162985
Molar Refractivity
103.0179
Polarizability
41.047688
Polar Surface Area
3.24
Rotatable Bonds
18
Lipinski's Rule of Five
false
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