Chemical ID: 5674841

Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(cc3)N(=O)=O)[O-]
Chemical ID:
5674841
Name [?]:
[1-(3-dimethylammoniopropyl)-2-(4-nitrophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(p-tolyl)methanolate
SMILES [?]:
Cc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccc(cc3)N(=O)=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H25N3O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:-47.6027
Area:627.847
Solvation:-63.2989
Coulombic:-13.4462
Bond Count [?]
All:33
Single:22
Double:11
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:423.462
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.1
LogP (Chemaxon):-0.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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