Molecule

ID:104707

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClN₂S
Molecular Mass
318.86416
Exact Mass
318.0957473
Charge
0
InChI
InChI=1S/C17H19N2S.ClH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1
InChIKey
JADVWWSKYZXRGX-UHFFFAOYSA-M
Canonic Smiles
Cc1ccc2c(c1)sc([n+]2C)c1ccc(cc1)N(C)C.[Cl-]
Isomeric Smiles
[Cl-].CN(C)c1ccc(cc1)c1[n+](C)c2c(s1)cc(C)cc2
Calculated Properties
JChem
LogD (pH = 7.4)
0.37
LogD (pH = 5.5)
0.37
Log P
0.37
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
3.37
Polar Surface Area
7.12
Polarizability
33.64
Molar Refractivity
97.17
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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