Chemical ID: 7039687

COc1cc(ccc1OC(=O)c2ccc(cc2)[N+](=O)[O-])C=CC(=O)c3ccccc3
Chemical ID:
7039687
Name [?]:
[2-methoxy-4-(3-oxo-3-phenyl-prop-1-enyl)-phenyl] 4-nitrobenzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccc(cc2)[N+](=O)[O-])C=CC(=O)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H17NO6
All Atoms:47
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:6.68157
Area:653.906
Solvation:-9.66607
Coulombic:-49.7922
Bond Count [?]
All:32
Single:19
Double:13
Rotors:8
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:403.384
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.77
LogP (Chemaxon):4.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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