Chemical ID: 5742015

CC(=O)COC(=O)c1c2ccccc2nc3c1CCCC3=Cc4cccc(c4)[N+](=O)[O-]
Chemical ID:
5742015
Name [?]:
acetonyl 4-[(3-nitrophenyl)methylene]-2,3-dihydro-1H-acridine-9-carboxylate
SMILES [?]:
CC(=O)COC(=O)c1c2ccccc2nc3c1CCCC3=Cc4cccc(c4)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H20N2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:6.31988
Area:618.591
Solvation:-9.14489
Coulombic:-44.8774
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:416.426
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.17
LogP (Chemaxon):4.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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