Molecule
ID:54876
General Information
Molecular Formula
C₉H₇FO₃
Molecular Mass
182.1484832
Exact Mass
182.0379223
Charge
0
InChI
InChI=1S/C9H7FO3/c1-13-9(12)7-4-6(5-11)2-3-8(7)10/h2-5H,1H3
InChIKey
PMWMARHAHYBCLQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(C=O)ccc1F
Isomeric Smiles
c1(C(=O)OC)c(ccc(c1)C=O)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8319271
LogD (pH = 7.4)
1.8319271
Log P
1.8319271
Molar Refractivity
44.8837
Polarizability
16.414774
Polar Surface Area
43.37
Rotatable Bonds
3
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
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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