7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid

C14H9NO7 — CID 141032051

IUPAC7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid
SMILESO=C(O)c1cc2c(c(C(=O)O)c1)Nc1cc(O)c(O)cc1O2
InChIInChI=1S/C14H9NO7/c16-8-3-7-10(4-9(8)17)22-11-2-5(13(18)19)1-6(14(20)21)12(11)15-7/h1-4,15-17H,(H,18,19)(H,20,21)
InChIKeyQTTKDFXCDSDVOK-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.34
Rot. Bonds2

About 7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid

7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid (PubChem CID 141032051) has the molecular formula C14H9NO7 and a molecular weight of 303.23 g/mol. Its IUPAC name is 7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid
PubChem CID141032051
Molecular FormulaC14H9NO7
Molecular Weight303.23 g/mol
Exact Mass303.04
IUPAC Name7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid
SMILESO=C(O)c1cc2c(c(C(=O)O)c1)Nc1cc(O)c(O)cc1O2
InChIInChI=1S/C14H9NO7/c16-8-3-7-10(4-9(8)17)22-11-2-5(13(18)19)1-6(14(20)21)12(11)15-7/h1-4,15-17H,(H,18,19)(H,20,21)
InChIKeyQTTKDFXCDSDVOK-UHFFFAOYSA-N
XLogP2.34
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(3,4-dihydroxyphenyl)methyl]-10H-phenoxazine-1,3-dicarboxylic acid
CID 141031949
7-(3,4-difluorophenyl)-10H-phenoxazine-1,3-dicarboxylic acid
CID 141031952
8-[2-(3,4-dimethylphenyl)ethyl]-10H-phenoxazine-1,3-dicarboxylic acid
CID 141031846
10H-phenoxazine-1,8-dicarboxylic acid
CID 125480198
8-(3,4-dichlorophenyl)-3-(methylcarbamoyl)-10H-phenoxazine-1-carboxylic acid
CID 141032159
7,8-dichloro-10H-phenoxazine-1-carboxylic acid
CID 59917041
7-[(3,4-dihydroxyphenyl)methyl]-3-(methylsulfamoyl)-10H-phenoxazine-1-carboxylic acid
CID 141031892
8,9-dichloro-3-(methylsulfamoyl)-12H-benzo[i]phenoxazine-1-carboxylic acid
CID 141032052
2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid
CID 5487975
2-chlorobenzene-1,3,5-tricarboxylic acid
CID 70547954
8-chloro-3-(methylsulfamoyl)-9-(trifluoromethyl)-12H-benzo[i]phenoxazine-1-carboxylic acid
CID 141032098
calcium;hydride;2-hydroxybenzene-1,3,5-tricarboxylic acid
CID 174724690

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid?
The IUPAC name of 7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid (CID 141032051) is 7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid.
What is the SMILES notation for 7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid?
The canonical SMILES for 7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid is O=C(O)c1cc2c(c(C(=O)O)c1)Nc1cc(O)c(O)cc1O2.
What is the InChIKey of 7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid?
The InChIKey is QTTKDFXCDSDVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO7/c16-8-3-7-10(4-9(8)17)22-11-2-5(13(18)19)1-6(14(20)21)12(11)15-7/h1-4,15-17H,(H,18,19)(H,20,21).
What are the key properties of 7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid?
7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid has a molecular weight of 303.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid is sourced from PubChem (CID 141032051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).