Molecule

ID:2688

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₈N₄S₂
Molecular Mass
374.65112
Exact Mass
374.25378924
Charge
0
InChI
InChI=1S/C18H38N4S2/c1-23-17(19)21-15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-18(20)24-2/h3-16H2,1-2H3,(H2,19,21)(H2,20,22)
InChIKey
IOKDMHHZKWLWKO-UHFFFAOYSA-N
Canonic Smiles
CS/C(=N/CCCCCCCCCCCCCC/N=C(/SC)\N)/N
Isomeric Smiles
CS/C(=N/CCCCCCCCCCCCCC/N=C(\N)/SC)/N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.313316
LogD (pH = 7.4)
2.1565144
Log P
6.125757
Molar Refractivity
112.4732
Polarizability
43.785744
Polar Surface Area
76.76
Rotatable Bonds
17
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
4.85
LOG S
-6.09
Solubility (Water)
3.07e-04 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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