Molecule

ID:28653

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂S
Molecular Mass
240.32348
Exact Mass
240.07211939
Charge
0
InChI
InChI=1S/C14H12N2S/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9,15H2
InChIKey
GUUPKXREMJGASF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Cc1nc2c(s1)cccc2
Isomeric Smiles
n1c(sc2c1cccc2)Cc1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.2294753
LogD (pH = 7.4)
3.241791
Log P
3.2419503
Molar Refractivity
70.9917
Polarizability
28.15012
Polar Surface Area
38.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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