Molecule

ID:43725

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FO₂S
Molecular Mass
210.2247832
Exact Mass
210.01507868
Charge
0
InChI
InChI=1S/C10H7FO2S/c1-13-10(12)9-5-6-4-7(11)2-3-8(6)14-9/h2-5H,1H3
InChIKey
KMBHCZSECUMYRF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2c(s1)ccc(c2)F
Isomeric Smiles
c1(sc2c(c1)cc(cc2)F)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.127889
LogD (pH = 7.4)
3.127889
Log P
3.127889
Molar Refractivity
51.4239
Polarizability
20.618746
Polar Surface Area
26.3
Rotatable Bonds
2
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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