Molecule

ID:78656

General Information
Structure
Molecular Formula
C₁₆H₁₅Cl₂N₃OS
Molecular Mass
368.2808
Exact Mass
367.03128848
Charge
0
InChI
InChI=1S/C16H15Cl2N3OS/c1-9(2)10-3-5-12(6-4-10)19-16(23)21-15(22)11-7-13(17)20-14(18)8-11/h3-9H,1-2H3,(H2,19,21,22,23)
InChIKey
CJFSTVFDNKEPPW-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)NC(=S)NC(=O)c1cc(Cl)nc(c1)Cl)C
Isomeric Smiles
N(C(=S)Nc1ccc(cc1)C(C)C)C(=O)c1cc(nc(c1)Cl)Cl
Calculated Properties
JChem
Acid pKa
5.551615
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.026325
LogD (pH = 7.4)
4.0855103
Log P
5.2858434
Molar Refractivity
101.5911
Polarizability
37.59588
Polar Surface Area
54.02
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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