Molecule

ID:94879

General Information
Structure
MolImage
Molecular Formula
C₃Cl₂F₄O
Molecular Mass
198.9311128
Exact Mass
197.92623286
Charge
0
InChI
InChI=1S/C3Cl2F4O/c4-2(6,7)1(10)3(5,8)9
InChIKey
QRKKTXWUDLJYCV-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)(F)F)C(Cl)(F)F
Isomeric Smiles
O=C(C(Cl)(F)F)C(Cl)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7843103
LogD (pH = 7.4)
2.7843103
Log P
2.7843103
Molar Refractivity
27.8848
Polarizability
10.297181
Polar Surface Area
17.07
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
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Molecule Details
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References
Bioactivity
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