Molecule

ID:94052

General Information
Structure
MolImage
Molecular Formula
C₉H₄F₄O
Molecular Mass
204.1210728
Exact Mass
204.01982763
Charge
0
InChI
InChI=1S/C9H4F4O/c1-2-6-3-4-8(7(10)5-6)14-9(11,12)13/h1,3-5H
InChIKey
MTPNHEDDMZRILD-UHFFFAOYSA-N
Canonic Smiles
C#Cc1ccc(c(c1)F)OC(F)(F)F
Isomeric Smiles
O(c1c(cc(cc1)C#C)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.6978946
LogD (pH = 7.4)
3.6978946
Log P
3.6978946
Molar Refractivity
34.517
Polarizability
14.700621
Polar Surface Area
9.23
Rotatable Bonds
2
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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