[(4-phenylphenyl)methylideneamino] hypochlorite

C13H10ClNO — CID 54016863

IUPAC[(4-phenylphenyl)methylideneamino] hypochlorite
SMILESClON=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10ClNO/c14-16-15-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H
InChIKeyKWFUGQMFIAIWGD-UHFFFAOYSA-N
MW231.68 g/mol
LogP3.86
Rot. Bonds3

About [(4-phenylphenyl)methylideneamino] hypochlorite

[(4-phenylphenyl)methylideneamino] hypochlorite (PubChem CID 54016863) has the molecular formula C13H10ClNO and a molecular weight of 231.68 g/mol. Its IUPAC name is [(4-phenylphenyl)methylideneamino] hypochlorite.

Molecular Properties

Compound Name[(4-phenylphenyl)methylideneamino] hypochlorite
PubChem CID54016863
Molecular FormulaC13H10ClNO
Molecular Weight231.68 g/mol
Exact Mass231.05
IUPAC Name[(4-phenylphenyl)methylideneamino] hypochlorite
SMILESClON=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10ClNO/c14-16-15-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H
InChIKeyKWFUGQMFIAIWGD-UHFFFAOYSA-N
XLogP3.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4-phenylphenyl)methylideneamino] hypochlorite?
The IUPAC name of [(4-phenylphenyl)methylideneamino] hypochlorite (CID 54016863) is [(4-phenylphenyl)methylideneamino] hypochlorite.
What is the SMILES notation for [(4-phenylphenyl)methylideneamino] hypochlorite?
The canonical SMILES for [(4-phenylphenyl)methylideneamino] hypochlorite is ClON=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(4-phenylphenyl)methylideneamino] hypochlorite?
The InChIKey is KWFUGQMFIAIWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO/c14-16-15-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H.
What are the key properties of [(4-phenylphenyl)methylideneamino] hypochlorite?
[(4-phenylphenyl)methylideneamino] hypochlorite has a molecular weight of 231.68 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-phenylphenyl)methylideneamino] hypochlorite is sourced from PubChem (CID 54016863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).