Molecule

ID:99036

General Information
Structure
MolImage
Molecular Formula
C₃H₃Cl₃F₂O
Molecular Mass
199.4111264
Exact Mass
197.9217542
Charge
0
InChI
InChI=1S/C3H3Cl3F2O/c1-9-3(6,8)2(4,5)7/h1H3
InChIKey
OBEMXOBUAQYSRL-UHFFFAOYSA-N
Canonic Smiles
COC(C(Cl)(Cl)F)(Cl)F
Isomeric Smiles
O(C(C(Cl)(Cl)F)(F)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5478442
LogD (pH = 7.4)
2.5478442
Log P
2.5478442
Molar Refractivity
33.5321
Polarizability
12.698371
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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