Chemical ID: 5694162

Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)[O-])CC[NH+]4CCOCC4)O
Chemical ID:
5694162
Name [?]:
3-[4-hydroxy-3-(4-methylbenzoyl)-1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]phenolate
SMILES [?]:
Cc1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3cccc(c3)[O-])CC[NH+]4CCOCC4)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H26N2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:-42.7743
Area:655.646
Solvation:-59.1655
Coulombic:-22.1433
Bond Count [?]
All:34
Single:25
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:422.474
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.68
LogP (Chemaxon):0.78

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Experimental Annotations

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Descriptor Annotations

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