Molecule

ID:93788

General Information
Structure
MolImage
Molecular Formula
C₇Cl₂F₄O
Molecular Mass
246.9739128
Exact Mass
245.92623286
Charge
0
InChI
InChI=1S/C7Cl2F4O/c8-2-5(12)3(10)1(7(9)14)4(11)6(2)13
InChIKey
BCYRJFXGRNBBAF-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(C(=O)Cl)c(c(c1Cl)F)F
Isomeric Smiles
O=C(c1c(c(c(c(c1F)F)Cl)F)F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3390107
LogD (pH = 7.4)
3.3390107
Log P
3.3390107
Molar Refractivity
42.8431
Polarizability
15.644903
Polar Surface Area
17.07
Rotatable Bonds
1
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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