Chemical ID: 6782745

c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCC[NH+]3CCCC3
Chemical ID:
6782745
Name [?]:
2-(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-[3-(2,3,4,5-tetrahydropyrrol-1-yl)propyl]acetamide
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCC[NH+]3CCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H24N3O3+
All Atoms:47
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-21.2818
Area:535.993
Solvation:-34.6817
Coulombic:-15.1307
Bond Count [?]
All:25
Single:20
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.391
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:0.68
LogP (Chemaxon):-0.12

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Experimental Annotations

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Descriptor Annotations

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