oxido-phenyl-phenyliminoazanium

C12H10N2O — CID 10316

IUPACoxido-phenyl-phenyliminoazanium
SMILES[O-]/[N+](=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H/b14-13-
InChIKeyGAUZCKBSTZFWCT-YPKPFQOOSA-N
MW198.22 g/mol
LogP3.61
Rot. Bonds2

About oxido-phenyl-phenyliminoazanium

oxido-phenyl-phenyliminoazanium (PubChem CID 10316) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is oxido-phenyl-phenyliminoazanium.

Molecular Properties

Compound Nameoxido-phenyl-phenyliminoazanium
PubChem CID10316
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Nameoxido-phenyl-phenyliminoazanium
SMILES[O-]/[N+](=N\c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H/b14-13-
InChIKeyGAUZCKBSTZFWCT-YPKPFQOOSA-N
XLogP3.61
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 53.61
H-Bond Donors ≤ 50
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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Related Compounds

4-Aminoazobenzene
CID 6051
Diazoaminobenzene
CID 8689
Disperse orange 3
CID 12896
Azobenzene
CID 2272
Nitrosobenzene
CID 11473
4,4'-Dichloroazoxybenzene
CID 11960
Cupferron
CID 2724103
4,4'-Diazenediyldianiline
CID 10855
N-Nitroso-N-phenylhydroxylamine, ammonium salt
CID 135465076
As,As'-(1,2-Diazenediyldi-4,1-phenylene)bis(arsonic acid)
CID 23749
N-Nitroso-N-phenylhydroxylamine
CID 135418564
1-(4-Nitrophenyl)-2-phenyldiazene
CID 17222

Frequently Asked Questions

What is the IUPAC name of oxido-phenyl-phenyliminoazanium?
The IUPAC name of oxido-phenyl-phenyliminoazanium (CID 10316) is oxido-phenyl-phenyliminoazanium.
What is the SMILES notation for oxido-phenyl-phenyliminoazanium?
The canonical SMILES for oxido-phenyl-phenyliminoazanium is [O-]/[N+](=N\c1ccccc1)c1ccccc1.
What is the InChIKey of oxido-phenyl-phenyliminoazanium?
The InChIKey is GAUZCKBSTZFWCT-YPKPFQOOSA-N. The full InChI is InChI=1S/C12H10N2O/c15-14(12-9-5-2-6-10-12)13-11-7-3-1-4-8-11/h1-10H/b14-13-.
What are the key properties of oxido-phenyl-phenyliminoazanium?
oxido-phenyl-phenyliminoazanium has a molecular weight of 198.22 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxido-phenyl-phenyliminoazanium is sourced from PubChem (CID 10316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).