Chemical ID: 5996775

c1cc(ccc1C=CC(=O)N2CCCC2c3nc(no3)c4ccc(cc4)Cl)[N+](=O)[O-]
Chemical ID:
5996775
Name [?]:
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-3-(4-nitrophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(ccc1C=CC(=O)N2CCCC2c3nc(no3)c4ccc(cc4)Cl)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H17ClN4O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:8.05882
Area:643.378
Solvation:-8.02562
Coulombic:-43.3641
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:424.837
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.69
LogP (Chemaxon):4.55

Name Annotations

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Descriptor Annotations

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