Molecule

ID:39412

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₅NO₄
Molecular Mass
415.481
Exact Mass
415.17835829
Charge
0
InChI
InChI=1S/C26H25NO4/c1-17-10-12-18(13-11-17)14-19(15-25(28)29)27-26(30)31-16-24-22-8-4-2-6-20(22)21-7-3-5-9-23(21)24/h2-13,19,24H,14-16H2,1H3,(H,27,30)(H,28,29)/t19-/m1/s1
InChIKey
YDTDVZCEZPHDPY-LJQANCHMSA-N
Canonic Smiles
OC(=O)C[C@@H](Cc1ccc(cc1)C)NC(=O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1c(ccc(c1)C[C@H](CC(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2)C
Calculated Properties
JChem
Acid pKa
4.422212
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.1887636
LogD (pH = 7.4)
2.4291081
Log P
5.299888
Molar Refractivity
118.8616
Polarizability
47.210392
Polar Surface Area
75.63
Rotatable Bonds
8
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