Molecule

ID:109685

General Information
Structure
MolImage
Molecular Formula
C₃₀H₅₅N
Molecular Mass
429.7644
Exact Mass
429.43345077
Charge
0
InChI
InChI=1S/C30H55N/c1-3-5-7-9-11-13-15-17-19-24-28-31(30-26-22-21-23-27-30)29-25-20-18-16-14-12-10-8-6-4-2/h21-23,26-27H,3-20,24-25,28-29H2,1-2H3
InChIKey
XJEPUDKDCKLTSL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCN(c1ccccc1)CCCCCCCCCCCC
Isomeric Smiles
CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
11.115142
LogD (pH = 7.4)
11.819033
Log P
11.842186
Molar Refractivity
141.8498
Polarizability
55.82486
Polar Surface Area
3.24
Rotatable Bonds
23
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