Chemical ID: 6140530

CCC(=Cc1[n+](c2cc(ccc2s1)C)CCCS(=O)(=O)[O-])C=C3N(c4cc(ccc4S3)C)CC
Chemical ID:
6140530
Name [?]:
3-[2-[2-[(3-ethyl-5-methyl-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methyl-benzothiazol-3-yl]propane-1-sulfonate
SMILES [?]:
CCC(=Cc1[n+](c2cc(ccc2s1)C)CCCS(=O)(=O)[O-])C=C3N(c4cc(ccc4S3)C)CC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H30N2O3S3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:-21.5956
Area:705.303
Solvation:-39.2282
Coulombic:0.490977
Bond Count [?]
All:37
Single:26
Double:11
Rotors:8
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:514.726
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.76
LogP (Chemaxon):2.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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