Molecule

ID:11775

General Information
Structure
MolImage
Molecular Formula
C₁₄H₇F₃O₂
Molecular Mass
264.1993896
Exact Mass
264.03981412
Charge
0
InChI
InChI=1S/C14H7F3O2/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H
InChIKey
LEOGBDMNMFJKRV-UHFFFAOYSA-N
Canonic Smiles
O=c1c2cc(ccc2oc2c1cccc2)C(F)(F)F
Isomeric Smiles
O=c1c2c(oc3c1cc(cc3)C(F)(F)F)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8374887
LogD (pH = 7.4)
3.8374887
Log P
3.8374887
Molar Refractivity
62.79
Polarizability
23.07121
Polar Surface Area
26.3
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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