Molecule

ID:7031

General Information
Structure
MolImage
Molecular Formula
C₇H₇F₇O
Molecular Mass
240.1187024
Exact Mass
240.03851238
Charge
0
InChI
InChI=1S/C7H7F7O/c1-2-3-15-4-5(8,9)6(10,11)7(12,13)14/h2H,1,3-4H2
InChIKey
OLXJWIOOAUUDHX-UHFFFAOYSA-N
Canonic Smiles
C=CCOCC(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
C(COCC=C)(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2121809
LogD (pH = 7.4)
3.2121809
Log P
3.2121809
Molar Refractivity
36.9613
Polarizability
13.551506
Polar Surface Area
9.23
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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