Chemical ID: 5667037

COc1cccc(c1)C2C(=C(c3ccncc3)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4
Chemical ID:
5667037
Name [?]:
[2-(3-methoxyphenyl)-1-[3-(1-oxa-4-azoniacyclohex-4-yl)propyl]-4,5-dioxo-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate
SMILES [?]:
COc1cccc(c1)C2C(=C(c3ccncc3)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H27N3O5
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:-44.6651
Area:648.151
Solvation:-60.8689
Coulombic:-18.1246
Bond Count [?]
All:35
Single:26
Double:9
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:437.488
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.03
LogP (Chemaxon):-2.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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