10H-phenoxazine-1-carboxylic acid

C13H9NO3 — CID 4556427

IUPAC10H-phenoxazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C13H9NO3/c15-13(16)8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)17-11/h1-7,14H,(H,15,16)
InChIKeyOPXLFVRTNVYKMK-UHFFFAOYSA-N
MW227.22 g/mol
LogP3.23
Rot. Bonds1

About 10H-phenoxazine-1-carboxylic acid

10H-phenoxazine-1-carboxylic acid (PubChem CID 4556427) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 10H-phenoxazine-1-carboxylic acid.

Molecular Properties

Compound Name10H-phenoxazine-1-carboxylic acid
PubChem CID4556427
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name10H-phenoxazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1ccccc1O2
InChIInChI=1S/C13H9NO3/c15-13(16)8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)17-11/h1-7,14H,(H,15,16)
InChIKeyOPXLFVRTNVYKMK-UHFFFAOYSA-N
XLogP3.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 202918
2-(2-Methoxyphenylamino)benzoic acid
CID 202774
2,2'-((3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)diimino)bis-benzoic acid
CID 72571
4-Methoxyacridin-9(10H)-one
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TA 3037A
CID 6438761
4-Hydroxy-8-methoxy-2-quinolinecarboxylic acid
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(3-Phenoxybenzoylamino)benzoic acid deriv., 23h
CID 11429967
2-{[4-(3,5-Dimethylpiperidin-1-YL)-3-phenoxybenzoyl]amino}benzoic acid
CID 11775122
2-(3-Phenoxyanilino)benzoic acid
CID 44521008
2-(2-Phenoxyanilino)benzoic acid
CID 44521009
4-amino-5-methoxy-9(10H)-acridinone
CID 5180537
6-(Benzyloxy)-2h-benzo[d][1,3]oxazine-2,4(1h)-dione
CID 53956885

Frequently Asked Questions

What is the IUPAC name of 10H-phenoxazine-1-carboxylic acid?
The IUPAC name of 10H-phenoxazine-1-carboxylic acid (CID 4556427) is 10H-phenoxazine-1-carboxylic acid.
What is the SMILES notation for 10H-phenoxazine-1-carboxylic acid?
The canonical SMILES for 10H-phenoxazine-1-carboxylic acid is O=C(O)c1cccc2c1Nc1ccccc1O2.
What is the InChIKey of 10H-phenoxazine-1-carboxylic acid?
The InChIKey is OPXLFVRTNVYKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-13(16)8-4-3-7-11-12(8)14-9-5-1-2-6-10(9)17-11/h1-7,14H,(H,15,16).
What are the key properties of 10H-phenoxazine-1-carboxylic acid?
10H-phenoxazine-1-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenoxazine-1-carboxylic acid is sourced from PubChem (CID 4556427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).