Chemical ID: 6703720

c1cc(ccc1C(=O)CSc2c(cc3c([nH+]2)CCC3)C#N)Cl
Chemical ID:
6703720
Name [?]:
4-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-5-azoniabicyclo[4.3.0]nona-2,4,10-triene-3-carbonitrile
SMILES [?]:
c1cc(ccc1C(=O)CSc2c(cc3c([nH+]2)CCC3)C#N)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14ClN2OS+
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-22.6073
Area:540.825
Solvation:-36.1279
Coulombic:1.12462
Bond Count [?]
All:24
Single:16
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:329.825
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.35
LogP (Chemaxon):3.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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