phenazine-1-carboxylate

C13H7N2O2- — CID 7097402

IUPACphenazine-1-carboxylate
SMILESO=C([O-])c1cccc2nc3ccccc3nc12
InChIInChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)/p-1
InChIKeyJGCSKOVQDXEQHI-UHFFFAOYSA-M
MW223.21 g/mol
LogP1.15
Rot. Bonds1

About phenazine-1-carboxylate

phenazine-1-carboxylate (PubChem CID 7097402) has the molecular formula C13H7N2O2- and a molecular weight of 223.21 g/mol. Its IUPAC name is phenazine-1-carboxylate.

Molecular Properties

Compound Namephenazine-1-carboxylate
PubChem CID7097402
Molecular FormulaC13H7N2O2-
Molecular Weight223.21 g/mol
Exact Mass223.05
IUPAC Namephenazine-1-carboxylate
SMILESO=C([O-])c1cccc2nc3ccccc3nc12
InChIInChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)/p-1
InChIKeyJGCSKOVQDXEQHI-UHFFFAOYSA-M
XLogP1.15
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenazine-1-carboxylate?
The IUPAC name of phenazine-1-carboxylate (CID 7097402) is phenazine-1-carboxylate.
What is the SMILES notation for phenazine-1-carboxylate?
The canonical SMILES for phenazine-1-carboxylate is O=C([O-])c1cccc2nc3ccccc3nc12.
What is the InChIKey of phenazine-1-carboxylate?
The InChIKey is JGCSKOVQDXEQHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17)/p-1.
What are the key properties of phenazine-1-carboxylate?
phenazine-1-carboxylate has a molecular weight of 223.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenazine-1-carboxylate is sourced from PubChem (CID 7097402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).