Molecule

ID:60643

General Information
Structure
Molecular Formula
C₁₄H₁₅NS₃
Molecular Mass
293.4706
Exact Mass
293.03666249
Charge
0
InChI
InChI=1S/C14H15NS3/c1-7-5-9-10(6-8(7)2)15-14(3,4)12-11(9)13(16)18-17-12/h5-6,15H,1-4H3
InChIKey
BEMAVAXMEKMYJU-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2c(cc1C)NC(c1c2c(=S)ss1)(C)C
Isomeric Smiles
c12c(ssc2=S)C(Nc2c1cc(c(c2)C)C)(C)C
Calculated Properties
JChem
Acid pKa
17.946875
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.6808567
LogD (pH = 7.4)
4.684919
Log P
4.684971
Molar Refractivity
90.8914
Polarizability
34.0898
Polar Surface Area
12.03
Rotatable Bonds
0
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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