Molecule
ID:123150
General Information
Molecular Formula
C₁₄H₁₀N₂S
Molecular Mass
238.3076
Exact Mass
238.05646933
Charge
0
InChI
InChI=1S/C14H10N2S/c17-14-15-9-8-13(16-14)12-7-3-5-10-4-1-2-6-11(10)12/h1-9H,(H,15,16,17)
InChIKey
OUWKLNHPFBIOLC-UHFFFAOYSA-N
Canonic Smiles
Sc1nccc(n1)c1cccc2c1cccc2
Isomeric Smiles
n1c(c2c3c(ccc2)cccc3)ccnc1S
Calculated Properties
JChem
Acid pKa
9.889068
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.844254
LogD (pH = 7.4)
3.8429277
Log P
3.8442812
Molar Refractivity
71.8925
Polarizability
30.253613
Polar Surface Area
25.78
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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