Chemical ID: 5213825

CC1([N+](=O)[C-]2C=CC=CC2=[N+]1[O-])C
Chemical ID:
5213825
Name [?]:
2,2-dimethyl-3-oxido-benzoimidazole 1-oxide
SMILES [?]:
CC1([N+](=O)[C-]2C=CC=CC2=[N+]1[O-])C
InChi [?]:
InChI=1/C9H10N2O2/c1-9(2)10(12)7-5-3-4-6-8(7)11(9)13/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,7,8,6,9,5,10,2,3,11,4,12/E:(1,2)(3,4)(5,6)(7,8)(10,11)(12,13)/CRV:10.5,11.5/rA:13cCCN+OC-CCCCCN+O-C/rB:s1;s2;d3;s3;s5;d6;s7;d8;s5s9;s2d10;s11;s2;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10N2O2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:-2.10746
Area:329.293
Solvation:-10.3398
Coulombic:-12.1478
Bond Count [?]
All:14
Single:10
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:178.188
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.88
LogP (Chemaxon):-1.11

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue