Molecule

ID:96476

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Cl₃F₃N₂O₂
Molecular Mass
351.5369296
Exact Mass
349.96034521
Charge
0
InChI
InChI=1S/C10H8Cl3F3N2O2/c11-8(12)9(13)18-20-4-3-19-7-5-6(1-2-17-7)10(14,15)16/h1-2,5,18H,3-4H2
InChIKey
KPLUFKUFKJGLER-UHFFFAOYSA-N
Canonic Smiles
ClC(=C(Cl)Cl)NOCCOc1nccc(c1)C(F)(F)F
Isomeric Smiles
n1c(cc(cc1)C(F)(F)F)OCCONC(=C(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.8297174
LogD (pH = 7.4)
3.830231
Log P
3.8302376
Molar Refractivity
100.283
Polarizability
26.277832
Polar Surface Area
43.38
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
Bioactivity
Navigation