Chemical ID: 7039821

c1cc(cc(c1)[N+](=O)[O-])C=CC(=O)c2ccc(cc2)OC(=O)c3ccc4c(c3)OCO4
Chemical ID:
7039821
Name [?]:
[4-[3-(3-nitrophenyl)prop-2-enoyl]phenyl] benzo[1,3]dioxole-5-carboxylate
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C=CC(=O)c2ccc(cc2)OC(=O)c3ccc4c(c3)OCO4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H15NO7
All Atoms:46
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:6.54222
Area:664.214
Solvation:-10.0631
Coulombic:-57.2994
Bond Count [?]
All:34
Single:21
Double:13
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:417.368
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:4.88
LogP (Chemaxon):4.88

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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