7,8-dichloro-10H-phenoxazine-1-carboxylic acid

C13H7Cl2NO3 — CID 59917041

IUPAC7,8-dichloro-10H-phenoxazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1cc(Cl)c(Cl)cc1O2
InChIInChI=1S/C13H7Cl2NO3/c14-7-4-9-11(5-8(7)15)19-10-3-1-2-6(13(17)18)12(10)16-9/h1-5,16H,(H,17,18)
InChIKeyNYJKJNBANWRABM-UHFFFAOYSA-N
MW296.11 g/mol
LogP4.54
Rot. Bonds1

About 7,8-dichloro-10H-phenoxazine-1-carboxylic acid

7,8-dichloro-10H-phenoxazine-1-carboxylic acid (PubChem CID 59917041) has the molecular formula C13H7Cl2NO3 and a molecular weight of 296.11 g/mol. Its IUPAC name is 7,8-dichloro-10H-phenoxazine-1-carboxylic acid.

Molecular Properties

Compound Name7,8-dichloro-10H-phenoxazine-1-carboxylic acid
PubChem CID59917041
Molecular FormulaC13H7Cl2NO3
Molecular Weight296.11 g/mol
Exact Mass294.98
IUPAC Name7,8-dichloro-10H-phenoxazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1cc(Cl)c(Cl)cc1O2
InChIInChI=1S/C13H7Cl2NO3/c14-7-4-9-11(5-8(7)15)19-10-3-1-2-6(13(17)18)12(10)16-9/h1-5,16H,(H,17,18)
InChIKeyNYJKJNBANWRABM-UHFFFAOYSA-N
XLogP4.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-chloro-10H-phenoxazine-1-carboxylic acid
CID 151951306
8-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid
CID 10221728
7-[(3,4-dichlorophenyl)methyl]-10H-phenoxazine-1-carboxylic acid
CID 10110654
10H-phenoxazine-1,8-dicarboxylic acid
CID 125480198
8-[2-[3-chloro-4-(trifluoromethyl)phenyl]ethyl]-10H-phenoxazine-1-carboxylic acid
CID 10203191
7-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-10H-phenoxazine-1-carboxylic acid
CID 10223854
2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid
CID 5487975
7-[2-(3,4-dichlorophenyl)ethyl]-3-nitro-12H-benzo[i]phenoxazine-1-carboxylic acid
CID 10117509
8,9-dichloro-3-(methylsulfamoyl)-12H-benzo[i]phenoxazine-1-carboxylic acid
CID 141032052
2-methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acid
CID 82275003
7,8-dihydroxy-10H-phenoxazine-1,3-dicarboxylic acid
CID 141032051
8-(3,4-dichlorophenyl)-3-(methylcarbamoyl)-10H-phenoxazine-1-carboxylic acid
CID 141032159

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-10H-phenoxazine-1-carboxylic acid?
The IUPAC name of 7,8-dichloro-10H-phenoxazine-1-carboxylic acid (CID 59917041) is 7,8-dichloro-10H-phenoxazine-1-carboxylic acid.
What is the SMILES notation for 7,8-dichloro-10H-phenoxazine-1-carboxylic acid?
The canonical SMILES for 7,8-dichloro-10H-phenoxazine-1-carboxylic acid is O=C(O)c1cccc2c1Nc1cc(Cl)c(Cl)cc1O2.
What is the InChIKey of 7,8-dichloro-10H-phenoxazine-1-carboxylic acid?
The InChIKey is NYJKJNBANWRABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO3/c14-7-4-9-11(5-8(7)15)19-10-3-1-2-6(13(17)18)12(10)16-9/h1-5,16H,(H,17,18).
What are the key properties of 7,8-dichloro-10H-phenoxazine-1-carboxylic acid?
7,8-dichloro-10H-phenoxazine-1-carboxylic acid has a molecular weight of 296.11 g/mol, XLogP of 4.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dichloro-10H-phenoxazine-1-carboxylic acid is sourced from PubChem (CID 59917041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).