Molecule

ID:99291

General Information
Structure
MolImage
Molecular Formula
C₆HCl₃F₈O₂
Molecular Mass
363.4171656
Exact Mass
361.89143807
Charge
0
InChI
InChI=1S/C6HCl3F8O2/c7-3(12,2(10,11)1(18)19)5(14,15)4(8,13)6(9,16)17/h(H,18,19)
InChIKey
ANRGSWRBGXZQLY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)F)(F)F
Isomeric Smiles
OC(=O)C(C(C(C(C(F)(F)Cl)(F)Cl)(F)F)(F)Cl)(F)F
Calculated Properties
JChem
Acid pKa
-0.8009427
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2563614
LogD (pH = 7.4)
1.2556363
Log P
4.7850947
Molar Refractivity
46.9977
Polarizability
18.323423
Polar Surface Area
37.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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