formazan;phenol

C7H10N4O — CID 77324270

IUPACformazan;phenol
SMILESOc1ccccc1.[H]/N=N/C=NN
InChIInChI=1S/C6H6O.CH4N4/c7-6-4-2-1-3-5-6;2-4-1-5-3/h1-5,7H;1-2H,3H2/b;4-2+,5-1?
InChIKeyHNIFNGDBWZFCOT-CTELUNINSA-N
MW166.18 g/mol
LogP1.31
Rot. Bonds1

About formazan;phenol

formazan;phenol (PubChem CID 77324270) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is formazan;phenol.

Molecular Properties

Compound Nameformazan;phenol
PubChem CID77324270
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Nameformazan;phenol
SMILESOc1ccccc1.[H]/N=N/C=NN
InChIInChI=1S/C6H6O.CH4N4/c7-6-4-2-1-3-5-6;2-4-1-5-3/h1-5,7H;1-2H,3H2/b;4-2+,5-1?
InChIKeyHNIFNGDBWZFCOT-CTELUNINSA-N
XLogP1.31
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formazan;phenol?
The IUPAC name of formazan;phenol (CID 77324270) is formazan;phenol.
What is the SMILES notation for formazan;phenol?
The canonical SMILES for formazan;phenol is Oc1ccccc1.[H]/N=N/C=NN.
What is the InChIKey of formazan;phenol?
The InChIKey is HNIFNGDBWZFCOT-CTELUNINSA-N. The full InChI is InChI=1S/C6H6O.CH4N4/c7-6-4-2-1-3-5-6;2-4-1-5-3/h1-5,7H;1-2H,3H2/b;4-2+,5-1?.
What are the key properties of formazan;phenol?
formazan;phenol has a molecular weight of 166.18 g/mol, XLogP of 1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formazan;phenol is sourced from PubChem (CID 77324270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).