Chemical ID: 6327889

CCC(C)N1C(=O)c2cccc(c2C1=O)[N+](=O)[O-]
Chemical ID:
6327889
Name [?]:
4-nitro-2-sec-butyl-isoindoline-1,3-dione
SMILES [?]:
CCC(C)N1C(=O)c2cccc(c2C1=O)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H12N2O4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:0.959068
Area:404.984
Solvation:-9.16554
Coulombic:-33.5119
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:248.235
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.14
LogP (Chemaxon):1.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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