Structural Complex
Chemical ID: I3Y
IUPAC Name: aqua(oxido)(quinolin-8-olato-kappa~2~N,O)vanadium(1+)
Formal Charge: ?
Type: non-polymer
Substructure
Substruture Type: MurckoScaffold
SMILES: c1ccc2[nH]cccc2c1
InChI: ?
InChI Key: ?
Physiochemical Descriptor:
Formula: C9 H8 N O3 V
Molecular weight: 229.106
Hydrogen Bond Acceptor: 2
Hydrogen Bond Donor: 0
Rotatable Bonds: 1
Heavy Atoms: 14
Systematic name
Program Version Descriptor
ACDLabs 14.52 aqua(oxido)(quinolin-8-olato-kappa~2~N,O)vanadium(1+)
OpenEye OEToolkits 3.1.0.0 2-$l^{3}-oxidanyl-3-oxa-1-azonia-2$l^{5}-vanadatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaene 2-oxide
Chemical Descriptors
Type Program Version Descriptor
SMILES ACDLabs 14.52 [OH2][V]1(=O)Oc2cccc3ccc[n+]1c32
InChI InChI 1.06 InChI=1S/C9H7NO.H2O.O.V/c11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h1-6,11H;1H2;;/q;;;+2/p-1
InChIKey InChI 1.06 OLTLZZZIOMKEFV-UHFFFAOYSA-M
SMILES_CANONICAL CACTVS 3.385 O.O=[V]1Oc2cccc3ccc[n+]1c23
SMILES CACTVS 3.385 O.O=[V]1Oc2cccc3ccc[n+]1c23
SMILES_CANONICAL OpenEye OEToolkits 3.1.0.0 c1cc2ccc[n+]3c2c(c1)O[V]3(=O)[OH2]
SMILES OpenEye OEToolkits 3.1.0.0 c1cc2ccc[n+]3c2c(c1)O[V]3(=O)[OH2]
Feedback Form
Name
Email
Institute
Feedback