Molecule

ID:43071

General Information
Structure
MolImage
Molecular Formula
C₈H₇ClFNOS
Molecular Mass
219.6636832
Exact Mass
218.99209075
Charge
0
InChI
InChI=1S/C8H7ClFNOS/c9-6-3-5(10)1-2-7(6)12-4-8(11)13/h1-3H,4H2,(H2,11,13)
InChIKey
XREVONDNEQDDQV-UHFFFAOYSA-N
Canonic Smiles
NC(=S)COc1ccc(cc1Cl)F
Isomeric Smiles
c1(cc(ccc1OCC(=S)N)F)Cl
Calculated Properties
JChem
Acid pKa
11.123894
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.112489
LogD (pH = 7.4)
2.112565
Log P
2.1232314
Molar Refractivity
53.4401
Polarizability
20.853333
Polar Surface Area
35.25
Rotatable Bonds
3
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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