Molecule

ID:39956

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈F₃NO₃S
Molecular Mass
327.2784296
Exact Mass
327.01769878
Charge
0
InChI
InChI=1S/C14H8F3NO3S/c15-14(16,17)10-2-1-3-11(7-10)22-13-5-4-9(8-19)6-12(13)18(20)21/h1-8H
InChIKey
ZLWIWPAQMKICRR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)[N+](=O)[O-])Sc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(c(Sc2cc(ccc2)C(F)(F)F)ccc(c1)C=O)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.6923304
LogD (pH = 7.4)
4.6923304
Log P
4.6923304
Molar Refractivity
78.6245
Polarizability
27.92336
Polar Surface Area
62.89
Rotatable Bonds
5
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