Molecule

ID:127010

General Information
Structure
MolImage
Molecular Formula
C₂₄H₃₁NO₄
Molecular Mass
397.50724
Exact Mass
397.22530848
Charge
0
InChI
InChI=1S/C24H31NO4/c1-4-7-8-11-16-29-24(28)20-13-10-9-12-19(20)23(27)21-15-14-18(17-22(21)26)25(5-2)6-3/h9-10,12-15,17,26H,4-8,11,16H2,1-3H3
InChIKey
FDATWRLUYRHCJE-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOC(=O)c1ccccc1C(=O)c1ccc(cc1O)N(CC)CC
Isomeric Smiles
O=C(c1ccc(cc1O)N(CC)CC)c1ccccc1C(=O)OCCCCCC
Calculated Properties
JChem
Acid pKa
8.29251
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
6.813213
LogD (pH = 7.4)
6.765166
Log P
6.8172064
Molar Refractivity
117.6411
Polarizability
44.71526
Polar Surface Area
66.84
Rotatable Bonds
12
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