Molecule

ID:105152

General Information
Structure
MolImage
Molecular Formula
C₂₄H₄₇NO₃
Molecular Mass
397.63488
Exact Mass
397.35559437
Charge
0
InChI
InChI=1S/C24H47NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h18-19,22-23,26-27H,3-17,20-21H2,1-2H3,(H,25,28)
InChIKey
NPRJSFWNFTXXQC-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCC/C=C/C(C(NC(=O)CCCCC)CO)O
Isomeric Smiles
CCCCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)CCCCC
Calculated Properties
JChem
Acid pKa
13.63898
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
6.4196672
LogD (pH = 7.4)
6.419668
Log P
6.4196687
Molar Refractivity
119.7657
Polarizability
47.144634
Polar Surface Area
69.56
Rotatable Bonds
20
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