Chemical ID: 4311715

c1ccc2c(c1)C=CC(N2S(=O)(=O)C=Cc3cccc(c3)[N+](=O)[O-])c4c[nH]c5c4cccc5
Chemical ID:
4311715
Name [?]:
2-(1H-indol-3-yl)-1-[2-(3-nitrophenyl)vinylsulfonyl]-2H-quinoline
SMILES [?]:
c1ccc2c(c1)C=CC(N2S(=O)(=O)C=Cc3cccc(c3)[N+](=O)[O-])c4c[nH]c5c4cccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H19N3O4S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:2
ZAP Information [?]
Total:7.26793
Area:609.814
Solvation:-7.97742
Coulombic:-33.0913
Bond Count [?]
All:37
Single:22
Double:15
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:457.502
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:5.58
LogP (Chemaxon):5.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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