Chemical ID: 5692113

c1ccc2c(c1)c(c3c(n2)C(=Cc4cccc(c4)[N+](=O)[O-])CCC3)C(=O)OCC#N
Chemical ID:
5692113
Name [?]:
cyanomethyl 4-[(3-nitrophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILES [?]:
c1ccc2c(c1)c(c3c(n2)C(=Cc4cccc(c4)[N+](=O)[O-])CCC3)C(=O)OCC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H17N3O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:6.54585
Area:584.611
Solvation:-8.06942
Coulombic:-41.7982
Bond Count [?]
All:33
Single:21
Double:11
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:399.399
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.01
LogP (Chemaxon):4.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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