Chemical ID: 5022975

CCC(=Cc1[n+](c2cc(ccc2s1)Cl)CC)C=C3N(c4cc(ccc4S3)Cl)CC
Chemical ID:
5022975
Name [?]:
5-chloro-2-[2-[(5-chloro-3-ethyl-benzothiazol-2-ylidene)methyl]but-1-enyl]-3-ethyl-benzothiazole
SMILES [?]:
CCC(=Cc1[n+](c2cc(ccc2s1)Cl)CC)C=C3N(c4cc(ccc4S3)Cl)CC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H23Cl2N2S2+
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:-11.4106
Area:642.996
Solvation:-27.4855
Coulombic:9.62377
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:462.48
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:8.37
LogP (Chemaxon):4.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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