Molecule
ID:8565
General Information
Molecular Formula
C₁₂H₉NS
Molecular Mass
199.27156
Exact Mass
199.04557029
Charge
0
InChI
InChI=1S/C12H9NS/c14-9-13-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2
InChIKey
JJMDUNWYBZCIKZ-UHFFFAOYSA-N
Canonic Smiles
S=C=NCc1cccc2c1cccc2
Isomeric Smiles
c1ccc2cccc(c2c1)CN=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7835999
LogD (pH = 7.4)
3.7835999
Log P
3.7835999
Molar Refractivity
62.3919
Polarizability
25.55646
Polar Surface Area
12.36
Rotatable Bonds
2
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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