Chemical ID: 6818810

CCOCCCNC(=O)C(c1ccc(cc1)Cl)[NH+]2CCC3(CC2)OCCO3
Chemical ID:
6818810
Name [?]:
2-(4-chlorophenyl)-2-(1,4-dioxa-8-azoniaspiro[4.5]dec-8-yl)-N-(3-ethoxypropyl)acetamide
SMILES [?]:
CCOCCCNC(=O)C(c1ccc(cc1)Cl)[NH+]2CCC3(CC2)OCCO3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H30ClN2O4+
All Atoms:57
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:-16.0212
Area:641.713
Solvation:-32.064
Coulombic:-15.7536
Bond Count [?]
All:29
Single:25
Double:4
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:397.916
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.11
LogP (Chemaxon):2.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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