Chemical ID: 5651645

C[NH+](C)CCN1C(C(=C(c2ccncc2)[O-])C(=O)C1=O)c3ccc(c(c3)Cl)Cl
Chemical ID:
5651645
Name [?]:
[2-(3,4-dichlorophenyl)-1-(2-dimethylammonioethyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate
SMILES [?]:
C[NH+](C)CCN1C(C(=C(c2ccncc2)[O-])C(=O)C1=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19Cl2N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:-41.2835
Area:578.701
Solvation:-55.7511
Coulombic:-8.08141
Bond Count [?]
All:30
Single:21
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:420.289
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.4
LogP (Chemaxon):-1.43

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