Molecule

ID:32008

General Information
Structure
Molecular Formula
C₉H₄ClF₇
Molecular Mass
280.5698824
Exact Mass
279.98897535
Charge
0
InChI
InChI=1S/C9H4ClF7/c10-6-2-5(9(15,16)17)1-4(7(6)11)3-8(12,13)14/h1-2H,3H2
InChIKey
ZIDUKYNROUJZMO-UHFFFAOYSA-N
Canonic Smiles
Fc1c(Cl)cc(cc1CC(F)(F)F)C(F)(F)F
Isomeric Smiles
c1(c(c(cc(c1)C(F)(F)F)CC(F)(F)F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7459927
LogD (pH = 7.4)
4.7459927
Log P
4.7459927
Molar Refractivity
47.4784
Polarizability
16.913761
Polar Surface Area
0.0
Rotatable Bonds
3
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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