9-chloro-10H-phenoxazine-1-carboxylic acid

C13H8ClNO3 — CID 151951306

IUPAC9-chloro-10H-phenoxazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1c(Cl)cccc1O2
InChIInChI=1S/C13H8ClNO3/c14-8-4-2-6-10-12(8)15-11-7(13(16)17)3-1-5-9(11)18-10/h1-6,15H,(H,16,17)
InChIKeyTWSBXGMPDCWISO-UHFFFAOYSA-N
MW261.66 g/mol
LogP3.89
Rot. Bonds1

About 9-chloro-10H-phenoxazine-1-carboxylic acid

9-chloro-10H-phenoxazine-1-carboxylic acid (PubChem CID 151951306) has the molecular formula C13H8ClNO3 and a molecular weight of 261.66 g/mol. Its IUPAC name is 9-chloro-10H-phenoxazine-1-carboxylic acid.

Molecular Properties

Compound Name9-chloro-10H-phenoxazine-1-carboxylic acid
PubChem CID151951306
Molecular FormulaC13H8ClNO3
Molecular Weight261.66 g/mol
Exact Mass261.02
IUPAC Name9-chloro-10H-phenoxazine-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Nc1c(Cl)cccc1O2
InChIInChI=1S/C13H8ClNO3/c14-8-4-2-6-10-12(8)15-11-7(13(16)17)3-1-5-9(11)18-10/h1-6,15H,(H,16,17)
InChIKeyTWSBXGMPDCWISO-UHFFFAOYSA-N
XLogP3.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.66
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-10H-phenoxazine-1-carboxylic acid?
The IUPAC name of 9-chloro-10H-phenoxazine-1-carboxylic acid (CID 151951306) is 9-chloro-10H-phenoxazine-1-carboxylic acid.
What is the SMILES notation for 9-chloro-10H-phenoxazine-1-carboxylic acid?
The canonical SMILES for 9-chloro-10H-phenoxazine-1-carboxylic acid is O=C(O)c1cccc2c1Nc1c(Cl)cccc1O2.
What is the InChIKey of 9-chloro-10H-phenoxazine-1-carboxylic acid?
The InChIKey is TWSBXGMPDCWISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO3/c14-8-4-2-6-10-12(8)15-11-7(13(16)17)3-1-5-9(11)18-10/h1-6,15H,(H,16,17).
What are the key properties of 9-chloro-10H-phenoxazine-1-carboxylic acid?
9-chloro-10H-phenoxazine-1-carboxylic acid has a molecular weight of 261.66 g/mol, XLogP of 3.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-10H-phenoxazine-1-carboxylic acid is sourced from PubChem (CID 151951306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).