Chemical ID: 5692562

COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[O-])CC[NH+]4CCOCC4)O
Chemical ID:
5692562
Name [?]:
4-[4-hydroxy-3-(4-methoxybenzoyl)-1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]phenolate
SMILES [?]:
COc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[O-])CC[NH+]4CCOCC4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H26N2O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:-45.2651
Area:671.099
Solvation:-62.0426
Coulombic:-26.6749
Bond Count [?]
All:35
Single:26
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:438.473
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.16
LogP (Chemaxon):-0.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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