Molecule
ID:85496
General Information
Molecular Formula
C₁₅H₁₉ClN₄S
Molecular Mass
322.85616
Exact Mass
322.10189531
Charge
0
InChI
InChI=1S/C15H19N4S.ClH/c1-2-4-15-14(3-1)13(6-20-15)5-19-10-16-7-17(11-19)9-18(8-16)12-19;/h1-4,6H,5,7-12H2;1H/q+1;/p-1
InChIKey
JSOJOXBFQMKKKI-UHFFFAOYSA-M
Canonic Smiles
c1ccc2c(c1)c(cs2)C[N+]12CN3CN(C2)CN(C1)C3.[Cl-]
Isomeric Smiles
[N+]12(CN3CN(C1)CN(C2)C3)Cc1csc2c1cccc2.[Cl-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.1697049
LogD (pH = 7.4)
-1.1697048
Log P
-1.1697048
Molar Refractivity
90.8617
Polarizability
33.25175
Polar Surface Area
9.72
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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