Molecule

ID:38496

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₃NO₄
Molecular Mass
377.43302
Exact Mass
377.16270822
Charge
0
InChI
InChI=1S/C23H23NO4/c25-21(26)23(12-14-9-10-15(23)11-14)24-22(27)28-13-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,14-15,20H,9-13H2,(H,24,27)(H,25,26)
InChIKey
FDSJQWJNLQURMJ-UHFFFAOYSA-N
Canonic Smiles
O=C(NC1(CC2CC1CC2)C(=O)O)OCC1c2ccccc2c2c1cccc2
Isomeric Smiles
C1C2CC(C(C1)C2)(C(=O)O)NC(=O)OCC1c2c(c3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
3.7719061
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.5183342
LogD (pH = 7.4)
0.97260845
Log P
4.247668
Molar Refractivity
103.7542
Polarizability
41.74564
Polar Surface Area
75.63
Rotatable Bonds
5
Lipinski's Rule of Five
true
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