Molecule

ID:3118

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₅NO₃
Molecular Mass
313.4754
Exact Mass
313.26169399
Charge
0
InChI
InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)
InChIKey
KVTFEOAKFFQCCX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCC(=O)NCC(=O)O
Isomeric Smiles
C(=O)(O)CNC(=O)CCCCCCCCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
2.02
LogD (pH = 5.5)
3.69
Log P
5.15
Rotatable Bonds
16
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
false
Acid pKa
4.05
Polar Surface Area
66.40
Polarizability
39.94
Molar Refractivity
89.89
LOG S
-6.94
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation