Molecule

ID:40247

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉F₃N₂S
Molecular Mass
294.2948696
Exact Mass
294.04385396
Charge
0
InChI
InChI=1S/C14H9F3N2S/c15-14(16,17)10-2-1-3-12(7-10)20-13-5-4-11(19)6-9(13)8-18/h1-7H,19H2
InChIKey
UIXJHGHFWHSBEZ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(N)ccc1Sc1cccc(c1)C(F)(F)F
Isomeric Smiles
c1(c(Sc2cc(ccc2)C(F)(F)F)ccc(c1)N)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.0667233
LogD (pH = 7.4)
4.0670104
Log P
4.067014
Molar Refractivity
75.1378
Polarizability
26.950958
Polar Surface Area
49.81
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