Chemical ID: 4520087

COc1ccc(cc1OC)CCN2C(=O)c3cccc(c3C2=O)[N+](=O)[O-]
Chemical ID:
4520087
Name [?]:
2-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-isoindoline-1,3-dione
SMILES [?]:
COc1ccc(cc1OC)CCN2C(=O)c3cccc(c3C2=O)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16N2O6
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:0.950221
Area:556.607
Solvation:-12.965
Coulombic:-47.2134
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:356.33
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:2.33
LogP (Chemaxon):2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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