Chemical ID: 4852010

C[N+](C)(C)CCC=C1c2ccccc2Sc3c1cc(cc3)Cl
Chemical ID:
4852010
Name [?]:
3-(2-chlorothioxanthen-9-ylidene)propyl-trimethyl-ammonium
SMILES [?]:
C[N+](C)(C)CCC=C1c2ccccc2Sc3c1cc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H21ClNS+
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-16.9266
Area:520.362
Solvation:-29.9356
Coulombic:20.7942
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:330.895
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.91
LogP (Chemaxon):0.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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