Chemical ID: 5479045

CC(=C(C#N)C(=O)COC(=O)c1c2ccccc2nc3c1CCCC3=Cc4cccc(c4)[N+](=O)[O-])N
Chemical ID:
5479045
Name [?]:
(4-amino-3-cyano-2-oxo-pent-3-enyl) 4-[(3-nitrophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILES [?]:
CC(=C(C#N)C(=O)COC(=O)c1c2ccccc2nc3c1CCCC3=Cc4cccc(c4)[N+](=O)[O-])N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H22N4O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:8.41766
Area:705.568
Solvation:-9.22153
Coulombic:-65.072
Bond Count [?]
All:39
Single:25
Double:13
Rotors:7
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:482.488
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:4.13
LogP (Chemaxon):3.87

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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