Molecule

ID:9553

General Information
Structure
MolImage
Molecular Formula
C₄H₃F₇O
Molecular Mass
200.0548424
Exact Mass
200.00721226
Charge
0
InChI
InChI=1S/C4H3F7O/c1-12-4(10,11)2(5,6)3(7,8)9/h1H3
InChIKey
NOPJRYAFUXTDLX-UHFFFAOYSA-N
Canonic Smiles
COC(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(OC)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.628427
LogD (pH = 7.4)
2.628427
Log P
2.628427
Molar Refractivity
23.6957
Polarizability
8.892435
Polar Surface Area
9.23
Rotatable Bonds
3
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
References
Bioactivity
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