Chemical ID: 5543000

CC(=O)c1ccccc1NC(=O)COC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCOCC3
Chemical ID:
5543000
Name [?]:
(2-acetylphenyl)carbamoylmethyl 4-morpholino-3-nitro-benzoate
SMILES [?]:
CC(=O)c1ccccc1NC(=O)COC(=O)c2ccc(c(c2)[N+](=O)[O-])N3CCOCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21N3O7
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:4.38038
Area:650.919
Solvation:-11.8926
Coulombic:-71.9685
Bond Count [?]
All:33
Single:23
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:427.407
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:2.54
LogP (Chemaxon):2.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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