Molecule

ID:52418

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₂S
Molecular Mass
256.36594
Exact Mass
256.10341952
Charge
0
InChI
InChI=1S/C15H16N2S/c1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h3-10H,1-2H3,(H2,16,17,18)
InChIKey
KWPNNZKRAQDVPZ-UHFFFAOYSA-N
Canonic Smiles
S=C(Nc1ccccc1C)Nc1ccccc1C
Isomeric Smiles
N(C(=S)Nc1c(cccc1)C)c1c(cccc1)C
Calculated Properties
JChem
Acid pKa
8.077438
H Acceptors
0
H Donor
2
LogD (pH = 5.5)
5.0342765
LogD (pH = 7.4)
4.95369
Log P
5.0353675
Molar Refractivity
84.1261
Polarizability
31.066185
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation