Chemical ID: 5714136

CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OC)[O-])C(=O)C1=O)c3cccc(c3)N(=O)=O
Chemical ID:
5714136
Name [?]:
[1-(2-diethylammonioethyl)-2-(3-nitrophenyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxy-3-methyl-phenyl)-methanolate
SMILES [?]:
CC[NH+](CC)CCN1C(C(=C(c2ccc(c(c2)C)OC)[O-])C(=O)C1=O)c3cccc(c3)N(=O)=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H29N3O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:-44.8379
Area:638.753
Solvation:-60.8067
Coulombic:-21.4868
Bond Count [?]
All:36
Single:25
Double:11
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:467.514
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.29
LogP (Chemaxon):-0.18

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Descriptor Annotations

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