Molecule

ID:120657

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂S
Molecular Mass
240.32348
Exact Mass
240.07211939
Charge
0
InChI
InChI=1S/C14H12N2S/c1-9-8-10(6-7-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3
InChIKey
IDBCUMFOZBUJCL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)c1nc2c(s1)cccc2
Isomeric Smiles
c1(nc2c(s1)cccc2)c1cc(c(cc1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.821141
LogD (pH = 7.4)
3.8227174
Log P
3.8227375
Molar Refractivity
81.9719
Polarizability
28.864458
Polar Surface Area
38.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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