Molecule

ID:88629

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₄S
Molecular Mass
330.35836
Exact Mass
330.06742794
Charge
0
InChI
InChI=1S/C16H14N2O4S/c1-11-5-7-12(8-6-11)23(20,21)18-10-14(16(19)22-2)13-4-3-9-17-15(13)18/h3-10H,1-2H3
InChIKey
FCEKKKLKOSDSBW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cn(c2c1cccn2)S(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
n1c2c(ccc1)c(cn2S(=O)(=O)c1ccc(cc1)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.6680372
LogD (pH = 7.4)
2.6680694
Log P
2.6680698
Molar Refractivity
85.027
Polarizability
33.90526
Polar Surface Area
78.26
Rotatable Bonds
3
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