Molecule

ID:26712

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅ClN₂OS
Molecular Mass
294.7997
Exact Mass
294.05936179
Charge
0
InChI
InChI=1S/C14H15ClN2OS/c1-3-11-8(2)19-13(16)12(11)14(18)17-10-6-4-9(15)5-7-10/h4-7H,3,16H2,1-2H3,(H,17,18)
InChIKey
RAZHNIKTUDLGCG-UHFFFAOYSA-N
Canonic Smiles
CCc1c(C)sc(c1C(=O)Nc1ccc(cc1)Cl)N
Isomeric Smiles
c1(c(sc(c1CC)C)N)C(=O)Nc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
11.4322605
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.0405364
LogD (pH = 7.4)
5.0404997
Log P
5.0405383
Molar Refractivity
82.0609
Polarizability
29.980375
Polar Surface Area
55.12
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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