Chemical ID: 6487536

C[N+](C)(C)c1ccc(cc1)C2=C(c3ccccc3C2=O)[O-]
Chemical ID:
6487536
Name [?]:
3-oxo-2-(4-trimethylammoniophenyl)-inden-1-olate
SMILES [?]:
C[N+](C)(C)c1ccc(cc1)C2=C(c3ccccc3C2=O)[O-]
InChi [?]:
InChI=1/C18H17NO2/c1-19(2,3)13-10-8-12(9-11-13)16-17(20)14-6-4-5-7-15(14)18(16)21/h4-11H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,15,16,14,17,7,9,6,10,8,5,13,18,11,12,19,2,21,20/E:(1,2,3)(4,5)(6,7)(8,9)(10,11)(14,15)(17,18)(20,21)/CRV:19+1,20-1/rA:21nCN+CCCCCCCCCCCCCCCCCOO-/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s12;s13;d14;s15;d16;d13s17;s11s18;d19;s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17NO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-32.9783
Area:470.198
Solvation:-44.7332
Coulombic:3.10931
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:279.333
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.94
LogP (Chemaxon):-2.19

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