Molecule
ID:121598
General Information
Molecular Formula
C₇H₄ClNS
Molecular Mass
169.63136
Exact Mass
168.97529781
Charge
0
InChI
InChI=1S/C7H4ClNS/c8-6-3-1-2-4-7(6)9-5-10/h1-4H
InChIKey
DASSPOJBUMBXLU-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccccc1Cl
Isomeric Smiles
C(=Nc1c(Cl)cccc1)=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5991154
LogD (pH = 7.4)
3.5991156
Log P
3.5991156
Molar Refractivity
47.9257
Polarizability
17.907028
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
No Data Available
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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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