Molecule

ID:83255

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂S₂
Molecular Mass
320.51586
Exact Mass
320.13809078
Charge
0
InChI
InChI=1S/C11H9NS2.C6H15N/c13-11(14)12-10-7-3-5-8-4-1-2-6-9(8)10;1-4-7(5-2)6-3/h1-7H,(H2,12,13,14);4-6H2,1-3H3
InChIKey
BMACMBINGROBIA-UHFFFAOYSA-N
Canonic Smiles
[S-]C(=S)Nc1cccc2c1cccc2.CC[NH+](CC)CC
Isomeric Smiles
N(c1cccc2c1cccc2)C(=S)[S-].[NH+](CC)(CC)CC
Calculated Properties
JChem
Acid pKa
1.3257365
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9346056
LogD (pH = 7.4)
2.934141
Log P
4.077214
Molar Refractivity
69.3726
Polarizability
27.800444
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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