Chemical ID: 5158556

CC[n+]1c2ccccc2sc1C=C3C=Cc4ccc(cc4N3CC)C
Chemical ID:
5158556
Name [?]:
1-ethyl-2-[(3-ethylbenzothiazol-2-yl)methylene]-7-methyl-quinoline
SMILES [?]:
CC[n+]1c2ccccc2sc1C=C3C=Cc4ccc(cc4N3CC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H23N2S+
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-12.5552
Area:542.119
Solvation:-26.1081
Coulombic:9.00488
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:347.497
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.5
LogP (Chemaxon):2.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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