Molecule
ID:95202
General Information
Molecular Formula
C₁₄H₁₀F₃NO₃S
Molecular Mass
329.2943096
Exact Mass
329.03334885
Charge
0
InChI
InChI=1S/C14H10F3NO3S/c15-14(16,17)12(19)5-6-18(9-10-3-1-7-21-10)13(20)11-4-2-8-22-11/h1-8H,9H2
InChIKey
WQQBZPOZGFNLDV-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccs1)N(Cc1ccco1)/C=C/C(=O)C(F)(F)F
Isomeric Smiles
N(C(=O)c1cccs1)(/C=C/C(=O)C(F)(F)F)Cc1ccco1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3616064
LogD (pH = 7.4)
3.3616064
Log P
3.3616064
Molar Refractivity
74.3923
Polarizability
26.880009
Polar Surface Area
50.52
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
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
Loading...
Bioactivity
Loading...