Chemical ID: 5696359

CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccccc3)[O-]
Chemical ID:
5696359
Name [?]:
[1-(3-dimethylammoniopropyl)-4,5-dioxo-2-phenyl-pyrrolidin-3-ylidene]-(4-propoxyphenyl)-methanolate
SMILES [?]:
CCCOc1ccc(cc1)C(=C2C(N(C(=O)C2=O)CCC[NH+](C)C)c3ccccc3)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H30N2O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:-42.2672
Area:635.28
Solvation:-58.1492
Coulombic:-11.1111
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):-0.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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