Molecule

ID:8062

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₄O
Molecular Mass
180.0996728
Exact Mass
180.01982763
Charge
0
InChI
InChI=1S/C7H4F4O/c1-12-7-5(10)3(8)2-4(9)6(7)11/h2H,1H3
InChIKey
AXCOCGJDERQVDK-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)c(F)cc(c1F)F
Isomeric Smiles
c1(c(c(cc(c1F)F)F)F)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3863823
LogD (pH = 7.4)
2.3863823
Log P
2.3863823
Molar Refractivity
33.3868
Polarizability
12.125296
Polar Surface Area
9.23
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
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Bioactivity
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