Chemical ID: 5674191

CCCOc1cccc(c1)C2C(=C(c3ccccc3)[O-])C(=O)C(=O)N2CCC[NH+](C)C
Chemical ID:
5674191
Name [?]:
[1-(3-dimethylammoniopropyl)-4,5-dioxo-2-(3-propoxyphenyl)-pyrrolidin-3-ylidene]-phenyl-methanolate
SMILES [?]:
CCCOc1cccc(c1)C2C(=C(c3ccccc3)[O-])C(=O)C(=O)N2CCC[NH+](C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H30N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:-43.3208
Area:659.68
Solvation:-59.8128
Coulombic:-9.3418
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:422.517
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.46
LogP (Chemaxon):-0.7

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Descriptor Annotations

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