Molecule

ID:99035

General Information
Structure
MolImage
Molecular Formula
C₃H₃Cl₄FO
Molecular Mass
215.8657232
Exact Mass
213.89220366
Charge
0
InChI
InChI=1S/C3H3Cl4FO/c1-9-3(7,8)2(4,5)6/h1H3
InChIKey
WMHOLVCTBNVLOE-UHFFFAOYSA-N
Canonic Smiles
COC(C(Cl)(Cl)Cl)(Cl)F
Isomeric Smiles
O(C(C(Cl)(Cl)Cl)(Cl)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7545307
LogD (pH = 7.4)
2.7545307
Log P
2.7545307
Molar Refractivity
38.3669
Polarizability
14.677557
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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