Molecule

ID:84736

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀N₂O₄
Molecular Mass
340.3731
Exact Mass
340.14230713
Charge
0
InChI
InChI=1S/C19H20N2O4/c1-25-19-5-3-2-4-17(19)14-8-10-20(11-9-14)18-7-6-16(21(23)24)12-15(18)13-22/h2-7,12-14H,8-11H2,1H3
InChIKey
TXTKGNOXCFAQCD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(ccc1N1CCC(CC1)c1ccccc1OC)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(c(c1)C=O)N1CCC(c2ccccc2OC)CC1)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
3.847294
LogD (pH = 7.4)
3.847294
Log P
3.847294
Molar Refractivity
97.6441
Polarizability
35.744194
Polar Surface Area
75.36
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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