Molecule

ID:95521

General Information
Structure
MolImage
Molecular Formula
C₉H₇FO₃
Molecular Mass
182.1484832
Exact Mass
182.0379223
Charge
0
InChI
InChI=1S/C9H7FO3/c10-8-1-6(3-11)9-7(2-8)4-12-5-13-9/h1-3H,4-5H2
InChIKey
NUQNWDKKRFXBPK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)cc2c1OCOC2
Isomeric Smiles
O1c2c(cc(cc2COC1)F)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4851316
LogD (pH = 7.4)
1.4851316
Log P
1.4851316
Molar Refractivity
43.7292
Polarizability
16.320692
Polar Surface Area
35.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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