Molecule

ID:52419

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂S
Molecular Mass
256.36594
Exact Mass
256.10341952
Charge
0
InChI
InChI=1S/C15H16N2S/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,16,17,18)
InChIKey
ULNVBRUIKLYGDF-UHFFFAOYSA-N
Canonic Smiles
S=C(Nc1ccc(cc1)C)Nc1ccc(cc1)C
Isomeric Smiles
N(C(=S)Nc1ccc(cc1)C)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
8.10036
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
5.0343328
LogD (pH = 7.4)
4.957664
Log P
5.0353675
Molar Refractivity
84.1261
Polarizability
31.06419
Polar Surface Area
24.06
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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