Molecule

ID:79834

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₇NO₄
Molecular Mass
393.47548
Exact Mass
393.19400835
Charge
0
InChI
InChI=1S/C24H27NO4/c26-22(27)24(14-8-2-1-3-9-15-24)25-23(28)29-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,21H,1-3,8-9,14-16H2,(H,25,28)(H,26,27)
InChIKey
ZOPBLCNRXHNKHT-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(CCCCCCC1)C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
N(C1(C(=O)O)CCCCCCC1)C(=O)OCC1c2c(cccc2)c2c1cccc2
Calculated Properties
JChem
Acid pKa
3.9097035
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.7967641
LogD (pH = 7.4)
2.184557
Log P
5.393108
Molar Refractivity
110.3392
Polarizability
44.319756
Polar Surface Area
75.63
Rotatable Bonds
5
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
暂无数据
点击上传数据
References
Bioactivity
Navigation