Chemical ID: 5996612

Cc1cccc(c1)c2nc(on2)C3CCCN3C(=O)C=Cc4ccc(cc4)[N+](=O)[O-]
Chemical ID:
5996612
Name [?]:
1-[2-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-(4-nitrophenyl)-prop-2-en-1-one
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCN3C(=O)C=Cc4ccc(cc4)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20N4O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:7.62855
Area:613.434
Solvation:-7.70731
Coulombic:-43.4591
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:404.419
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.5
LogP (Chemaxon):4.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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