Molecule

ID:97308

General Information
Structure
MolImage
Molecular Formula
C₇HClF₄O
Molecular Mass
212.5288528
Exact Mass
211.96520521
Charge
0
InChI
InChI=1S/C7HClF4O/c8-7(13)4-5(11)2(9)1-3(10)6(4)12/h1H
InChIKey
AELMDUZWKHVPIF-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1F)C(=O)Cl)F
Isomeric Smiles
Fc1c(c(c(cc1F)F)F)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.734966
LogD (pH = 7.4)
2.734966
Log P
2.734966
Molar Refractivity
38.0383
Polarizability
13.570363
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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