Chemical ID: 6529544

c1ccc2c(c1)C(=O)[N-]C2=O
Chemical ID:
6529544
Name [?]:
isoindole-1,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)[N-]C2=O
InChi [?]:
InChI=1/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)/p-1
InChi Info:
AuxInfo=1/5/N:1,2,6,3,5,4,7,10,9,8,11/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:11nCCCCCCCON-CO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4NO2-
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-27.8129
Area:291.642
Solvation:-35.1039
Coulombic:5.16856
Bond Count [?]
All:12
Single:7
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:146.123
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.1
LogP (Chemaxon):0.38

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Descriptor Annotations

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