Chemical ID: 4337448

c1cc(cc(c1)[N+](=O)[O-])C(=O)C=Cc2cc3c(cc2Br)OCO3
Chemical ID:
4337448
Name [?]:
3-(6-bromobenzo[1,3]dioxol-5-yl)-1-(3-nitrophenyl)-prop-2-en-1-one
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C(=O)C=Cc2cc3c(cc2Br)OCO3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H10BrNO5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:3.6369
Area:505.464
Solvation:-8.9997
Coulombic:-36.5169
Bond Count [?]
All:25
Single:16
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:376.158
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.17
LogP (Chemaxon):4.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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