5-acetyl-10H-phenazine-1-carboxylic acid

C15H12N2O3 — CID 86302560

IUPAC5-acetyl-10H-phenazine-1-carboxylic acid
SMILESCC(=O)N1c2ccccc2Nc2c(C(=O)O)cccc21
InChIInChI=1S/C15H12N2O3/c1-9(18)17-12-7-3-2-6-11(12)16-14-10(15(19)20)5-4-8-13(14)17/h2-8,16H,1H3,(H,19,20)
InChIKeyOTRRZLYYKZUVRM-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.13
Rot. Bonds1

About 5-acetyl-10H-phenazine-1-carboxylic acid

5-acetyl-10H-phenazine-1-carboxylic acid (PubChem CID 86302560) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-acetyl-10H-phenazine-1-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-10H-phenazine-1-carboxylic acid
PubChem CID86302560
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name5-acetyl-10H-phenazine-1-carboxylic acid
SMILESCC(=O)N1c2ccccc2Nc2c(C(=O)O)cccc21
InChIInChI=1S/C15H12N2O3/c1-9(18)17-12-7-3-2-6-11(12)16-14-10(15(19)20)5-4-8-13(14)17/h2-8,16H,1H3,(H,19,20)
InChIKeyOTRRZLYYKZUVRM-UHFFFAOYSA-N
XLogP3.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-10H-phenazine-1-carboxylic acid?
The IUPAC name of 5-acetyl-10H-phenazine-1-carboxylic acid (CID 86302560) is 5-acetyl-10H-phenazine-1-carboxylic acid.
What is the SMILES notation for 5-acetyl-10H-phenazine-1-carboxylic acid?
The canonical SMILES for 5-acetyl-10H-phenazine-1-carboxylic acid is CC(=O)N1c2ccccc2Nc2c(C(=O)O)cccc21.
What is the InChIKey of 5-acetyl-10H-phenazine-1-carboxylic acid?
The InChIKey is OTRRZLYYKZUVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9(18)17-12-7-3-2-6-11(12)16-14-10(15(19)20)5-4-8-13(14)17/h2-8,16H,1H3,(H,19,20).
What are the key properties of 5-acetyl-10H-phenazine-1-carboxylic acid?
5-acetyl-10H-phenazine-1-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 3.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-10H-phenazine-1-carboxylic acid is sourced from PubChem (CID 86302560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).