Molecule

ID:93478

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClFN₂S
Molecular Mass
204.6523432
Exact Mass
203.9924251
Charge
0
InChI
InChI=1S/C7H6ClFN2S/c8-5-3-4(11-7(10)12)1-2-6(5)9/h1-3H,(H3,10,11,12)
InChIKey
OVJVZVPEMXLKOE-UHFFFAOYSA-N
Canonic Smiles
NC(=S)Nc1ccc(c(c1)Cl)F
Isomeric Smiles
N(c1cc(c(cc1)F)Cl)C(=S)N
Calculated Properties
JChem
Acid pKa
9.270204
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
2.5139568
LogD (pH = 7.4)
2.508502
Log P
2.5140269
Molar Refractivity
52.6098
Polarizability
19.461588
Polar Surface Area
38.05
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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