Molecule

ID:96229

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀ClFO₃
Molecular Mass
350.8117032
Exact Mass
350.1085004
Charge
0
InChI
InChI=1S/C19H20ClFO3/c20-16-8-10-17(11-9-16)23-12-4-1-5-13-24-19(22)14-15-6-2-3-7-18(15)21/h2-3,6-11H,1,4-5,12-14H2
InChIKey
PJKWVHSBFPTRNA-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccccc1F)OCCCCCOc1ccc(cc1)Cl
Isomeric Smiles
O=C(Cc1ccccc1F)OCCCCCOc1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1695757
LogD (pH = 7.4)
5.1695757
Log P
5.1695757
Molar Refractivity
91.8191
Polarizability
35.789997
Polar Surface Area
35.53
Rotatable Bonds
10
Lipinski's Rule of Five
false
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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