Molecule

ID:97369

General Information
Structure
MolImage
Molecular Formula
C₁₆H₆F₅NO₂S
Molecular Mass
371.281356
Exact Mass
371.00394054
Charge
0
InChI
InChI=1S/C16H6F5NO2S/c17-10-11(18)13(20)15(14(21)12(10)19)24-16(23)9-4-3-8(25-9)7-2-1-5-22-6-7/h1-6H
InChIKey
IDMGFJPLJHXOJV-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(s1)c1cccnc1)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
Fc1c(c(c(c(c1OC(=O)c1ccc(s1)c1cccnc1)F)F)F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.6576505
LogD (pH = 7.4)
4.6869416
Log P
4.687331
Molar Refractivity
78.5962
Polarizability
29.972027
Polar Surface Area
39.19
Rotatable Bonds
4
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