Molecule

ID:97504

General Information
Structure
MolImage
Molecular Formula
C₇Cl₂F₁₂O
Molecular Mass
398.9611384
Exact Mass
397.91345862
Charge
0
InChI
InChI=1S/C7Cl2F12O/c8-1(22)2(10,11)3(12,13)4(14,15)5(16,17)6(18,19)7(9,20)21
InChIKey
UXMNQDVITLEYEF-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(C(C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.1522126
LogD (pH = 7.4)
5.1522126
Log P
5.1522126
Molar Refractivity
45.6872
Polarizability
17.886381
Polar Surface Area
17.07
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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