Molecule

ID:103709

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇ClN₄S
Molecular Mass
368.88308
Exact Mass
368.08624524
Charge
0
InChI
InChI=1S/C19H17N4S.ClH/c1-22-12-13-24-19(22)21-20-17-15-10-6-7-11-16(15)23(2)18(17)14-8-4-3-5-9-14;/h3-13H,1-2H3;1H/q+1;/p-1
InChIKey
WMAVHUWINYPPKT-UHFFFAOYSA-M
Canonic Smiles
C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.[Cl-]
Isomeric Smiles
[Cl-].Cn1c2c(cccc2)c(/N=N/c2[n+](C)ccs2)c1c1ccccc1
Calculated Properties
JChem
Acid pKa
15.077059
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.579615
LogD (pH = 7.4)
1.579615
Log P
1.579615
Molar Refractivity
111.8912
Polarizability
39.356262
Polar Surface Area
33.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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