Molecule

ID:94611

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀FNO₃
Molecular Mass
223.2004032
Exact Mass
223.06447141
Charge
0
InChI
InChI=1S/C11H10FNO3/c1-16-11(15)10(13-7-14)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3
InChIKey
LGHLKJBYUBBGNR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(Cc1ccc(cc1)F)N=C=O
Isomeric Smiles
Fc1ccc(cc1)CC(C(=O)OC)N=C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9490504
LogD (pH = 7.4)
1.9490504
Log P
1.9490504
Molar Refractivity
53.5212
Polarizability
20.569159
Polar Surface Area
55.73
Rotatable Bonds
5
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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