Chemical ID: 5996566

c1cc(cc(c1)[N+](=O)[O-])C(=O)N2CCCC2c3nc(no3)c4ccc(cc4)Br
Chemical ID:
5996566
Name [?]:
[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(3-nitrophenyl)-methanone
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)N2CCCC2c3nc(no3)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15BrN4O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:7.02176
Area:603.277
Solvation:-8.06018
Coulombic:-42.0559
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:443.251
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.59
LogP (Chemaxon):4.23

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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