Chemical ID: 5704814

CCOc1cc(ccc1[O-])C2C(=C(C(=O)N2CC[NH+]3CCOCC3)O)C(=O)c4ccc(cc4)Cl
Chemical ID:
5704814
Name [?]:
4-[3-(4-chlorobenzoyl)-4-hydroxy-1-[2-(1-oxa-4-azoniacyclohex-4-yl)ethyl]-5-oxo-2H-pyrrol-2-yl]-2-ethoxy-phenolate
SMILES [?]:
CCOc1cc(ccc1[O-])C2C(=C(C(=O)N2CC[NH+]3CCOCC3)O)C(=O)c4ccc(cc4)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H27ClN2O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:-47.4654
Area:726.654
Solvation:-65.6317
Coulombic:-23.2666
Bond Count [?]
All:37
Single:28
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:486.944
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.21
LogP (Chemaxon):0.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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