Chemical ID: 5456197

c1ccc2c(c1)c(c3c(n2)C(=Cc4ccc(cc4)[N+](=O)[O-])CCC3)C(=O)OCC(=O)Nc5ccc(cc5)C#N
Chemical ID:
5456197
Name [?]:
(4-cyanophenyl)carbamoylmethyl 4-[(4-nitrophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILES [?]:
c1ccc2c(c1)c(c3c(n2)C(=Cc4ccc(cc4)[N+](=O)[O-])CCC3)C(=O)OCC(=O)Nc5ccc(cc5)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C30H22N4O5
All Atoms:39
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:9.36543
Area:754.396
Solvation:-9.49446
Coulombic:-62.665
Bond Count [?]
All:43
Single:27
Double:15
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:518.52
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.98
LogP (Chemaxon):5.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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