Molecule
ID:38813
General Information
Molecular Formula
C₂₃H₁₉NO₄
Molecular Mass
373.40126
Exact Mass
373.13140809
Charge
0
InChI
InChI=1S/C23H19NO4/c1-14-7-6-12-19(22(25)26)21(14)24-23(27)28-13-20-17-10-4-2-8-15(17)16-9-3-5-11-18(16)20/h2-12,20H,13H2,1H3,(H,24,27)(H,25,26)
InChIKey
HRZRGCZCULPHNU-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1c(C)cccc1C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
c1(cccc(c1NC(=O)OCC1c2c(c3c1cccc3)cccc2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.20869
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.9180162
LogD (pH = 7.4)
1.7432396
Log P
5.1871424
Molar Refractivity
107.8544
Polarizability
41.63713
Polar Surface Area
75.63
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...