Molecule

ID:39359

General Information
Structure
Molecular Formula
C₁₇H₂₃NO₄
Molecular Mass
305.36882
Exact Mass
305.16270822
Charge
0
InChI
InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)18-14(12-15(19)20)11-7-10-13-8-5-4-6-9-13/h4-10,14H,11-12H2,1-3H3,(H,18,21)(H,19,20)/b10-7+/t14-/m0/s1
InChIKey
ZEIROKVMYFFJKQ-RNVIBTMRSA-N
Canonic Smiles
OC(=O)C[C@@H](NC(=O)OC(C)(C)C)C/C=C/c1ccccc1
Isomeric Smiles
[C@H](C/C=C/c1ccccc1)(CC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.5540543
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.2730432
LogD (pH = 7.4)
0.4996815
Log P
3.2644517
Molar Refractivity
84.9322
Polarizability
32.8351
Polar Surface Area
75.63
Rotatable Bonds
8
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