Molecule

ID:100198

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClFO
Molecular Mass
200.6372032
Exact Mass
200.04042084
Charge
0
InChI
InChI=1S/C10H10ClFO/c1-7(11)5-8-3-4-10(13-2)9(12)6-8/h3-4,6H,1,5H2,2H3
InChIKey
FXJQBEAMSCXWBQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1F)CC(=C)Cl
Isomeric Smiles
O(c1c(cc(cc1)CC(=C)Cl)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.137703
LogD (pH = 7.4)
3.137703
Log P
3.137703
Molar Refractivity
51.8951
Polarizability
19.639284
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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