Molecule

ID:128304

General Information
Structure
MolImage
Molecular Formula
C₂₃H₃₉NO₂
Molecular Mass
361.56126
Exact Mass
361.29807949
Charge
0
InChI
InChI=1S/C23H39NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(26)24-22(2)21-25/h7-8,10-11,13-14,16-17,22,25H,3-6,9,12,15,18-21H2,1-2H3,(H,24,26)/t22-/m1/s1
InChIKey
SQKRUBZPTNJQEM-JOCHJYFZSA-N
Canonic Smiles
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)N[C@@H](CO)C
Isomeric Smiles
O=C(N[C@H](C)CO)CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC
Calculated Properties
JChem
Acid pKa
15.0486
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.7303762
LogD (pH = 7.4)
5.730377
Log P
5.730377
Molar Refractivity
117.384
Polarizability
43.9922
Polar Surface Area
49.33
Rotatable Bonds
16
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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