Molecule

ID:35493

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂S₂
Molecular Mass
332.52656
Exact Mass
332.13809078
Charge
0
InChI
InChI=1S/C18H24N2S2/c1-11(2)13-5-7-15(19)17(9-13)21-22-18-10-14(12(3)4)6-8-16(18)20/h5-12H,19-20H2,1-4H3
InChIKey
ZYXWNCWNPHKJDN-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(c(c1)SSc1cc(ccc1N)C(C)C)N)C
Isomeric Smiles
c1(SSc2cc(ccc2N)C(C)C)cc(ccc1N)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.3999066
LogD (pH = 7.4)
5.4058356
Log P
5.4059114
Molar Refractivity
100.2426
Polarizability
39.24034
Polar Surface Area
52.04
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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