Chemical ID: 5158470

Cc1ccc2c(c1)SC(=Cc3[n+](c4ccccc4s3)CCCS(=O)(=O)[O-])N2C
Chemical ID:
5158470
Name [?]:
3-[2-[(3,6-dimethylbenzothiazol-2-ylidene)methyl]benzothiazol-3-yl]propane-1-sulfonate
SMILES [?]:
Cc1ccc2c(c1)SC(=Cc3[n+](c4ccccc4s3)CCCS(=O)(=O)[O-])N2C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20N2O3S3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:-23.6585
Area:628.099
Solvation:-39.3609
Coulombic:2.00746
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:432.582
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.81
LogP (Chemaxon):1.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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