Molecule
ID:100595
General Information
Molecular Formula
C₇H₇F₅O
Molecular Mass
202.121896
Exact Mass
202.04170594
Charge
0
InChI
InChI=1S/C7H7F5O/c8-5(4-2-1-3-13-4)6(9)7(10,11)12/h4H,1-3H2
InChIKey
JTJSDRZZJRJZSL-UHFFFAOYSA-N
Canonic Smiles
F/C(=C(\C(F)(F)F)/F)/C1CCCO1
Isomeric Smiles
O1CCCC1/C(=C(/C(F)(F)F)\F)/F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6232666
LogD (pH = 7.4)
1.6232666
Log P
1.6232666
Molar Refractivity
36.248
Polarizability
12.806001
Polar Surface Area
9.23
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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