Molecule

ID:8084

General Information
Structure
Molecular Formula
C₅H₃F₇O
Molecular Mass
212.0655424
Exact Mass
212.00721226
Charge
0
InChI
InChI=1S/C5H3F7O/c1-13-3(6)2(4(7,8)9)5(10,11)12/h1H3
InChIKey
FSDLLONBRLBIBL-UHFFFAOYSA-N
Canonic Smiles
COC(=C(C(F)(F)F)C(F)(F)F)F
Isomeric Smiles
C(=C(F)OC)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5118961
LogD (pH = 7.4)
2.5118961
Log P
2.5118961
Molar Refractivity
38.7404
Polarizability
10.252624
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
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Molecule Details
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References
Bioactivity
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