oxido-phenyl-(phenylhydrazinylidene)azanium

C12H11N3O — CID 135481706

IUPACoxido-phenyl-(phenylhydrazinylidene)azanium
SMILES[O-][N+](=NNc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11N3O/c16-15(12-9-5-2-6-10-12)14-13-11-7-3-1-4-8-11/h1-10,13H
InChIKeySHKIYAXXLLCWHH-UHFFFAOYSA-N
MW213.24 g/mol
LogP3.31
Rot. Bonds3

About oxido-phenyl-(phenylhydrazinylidene)azanium

oxido-phenyl-(phenylhydrazinylidene)azanium (PubChem CID 135481706) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is oxido-phenyl-(phenylhydrazinylidene)azanium.

Molecular Properties

Compound Nameoxido-phenyl-(phenylhydrazinylidene)azanium
PubChem CID135481706
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Nameoxido-phenyl-(phenylhydrazinylidene)azanium
SMILES[O-][N+](=NNc1ccccc1)c1ccccc1
InChIInChI=1S/C12H11N3O/c16-15(12-9-5-2-6-10-12)14-13-11-7-3-1-4-8-11/h1-10,13H
InChIKeySHKIYAXXLLCWHH-UHFFFAOYSA-N
XLogP3.31
TPSA50.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxido-phenyl-(phenylhydrazinylidene)azanium?
The IUPAC name of oxido-phenyl-(phenylhydrazinylidene)azanium (CID 135481706) is oxido-phenyl-(phenylhydrazinylidene)azanium.
What is the SMILES notation for oxido-phenyl-(phenylhydrazinylidene)azanium?
The canonical SMILES for oxido-phenyl-(phenylhydrazinylidene)azanium is [O-][N+](=NNc1ccccc1)c1ccccc1.
What is the InChIKey of oxido-phenyl-(phenylhydrazinylidene)azanium?
The InChIKey is SHKIYAXXLLCWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-15(12-9-5-2-6-10-12)14-13-11-7-3-1-4-8-11/h1-10,13H.
What are the key properties of oxido-phenyl-(phenylhydrazinylidene)azanium?
oxido-phenyl-(phenylhydrazinylidene)azanium has a molecular weight of 213.24 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-phenyl-(phenylhydrazinylidene)azanium is sourced from PubChem (CID 135481706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).