Molecule
ID:52320
General Information
Molecular Formula
C₇H₃ClFNS
Molecular Mass
187.6218232
Exact Mass
186.965876
Charge
0
InChI
InChI=1S/C7H3ClFNS/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H
InChIKey
LYQXTPFOLQLDOK-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(c(c1)F)Cl
Isomeric Smiles
c1(cc(c(cc1)Cl)F)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7418168
LogD (pH = 7.4)
3.7418177
Log P
3.7418177
Molar Refractivity
48.1421
Polarizability
17.604877
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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