Molecule

ID:131122

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₈N₂O₄
Molecular Mass
338.35722
Exact Mass
338.12665707
Charge
0
InChI
InChI=1S/C19H18N2O4/c1-24-19(23)17(21-18(22)9-8-14-5-4-10-25-14)11-13-12-20-16-7-3-2-6-15(13)16/h2-10,12,17,20H,11H2,1H3,(H,21,22)/b9-8+
InChIKey
ZZVGGCCUMFTDHV-CMDGGOBGSA-N
Canonic Smiles
COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)/C=C/c1ccco1
Isomeric Smiles
COC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)/C=C/c1ccco1
Calculated Properties
JChem
Acid pKa
12.484491
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.5607908
LogD (pH = 7.4)
2.5607932
Log P
2.5607963
Molar Refractivity
93.2228
Polarizability
36.682076
Polar Surface Area
84.33
Rotatable Bonds
7
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