Chemical ID: 4889922

c1cc(cc(c1)[N+](=O)[O-])C2C(=C(C(=O)N2CCOCCO)O)C(=O)c3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4889922
Name [?]:
3-hydroxy-1-[2-(2-hydroxyethoxy)ethyl]-4-(4-nitrobenzoyl)-5-(3-nitrophenyl)-5H-pyrrol-2-one
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C2C(=C(C(=O)N2CCOCCO)O)C(=O)c3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19N3O9
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:-1.3206
Area:673.927
Solvation:-18.1688
Coulombic:-88.3853
Bond Count [?]
All:35
Single:24
Double:11
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:457.39
H-Bond Donors:2
H-Bond Acceptors:12
XLogP:1.84
LogP (Chemaxon):1.52

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue