10H-phenothiazine-2-carboxylic acid;hydrochloride

C13H10ClNO2S — CID 142625462

IUPAC10H-phenothiazine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C13H9NO2S.ClH/c15-13(16)8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)17-12;/h1-7,14H,(H,15,16);1H
InChIKeyOGCZHWOSQUTHGU-UHFFFAOYSA-N
MW279.75 g/mol
LogP4.01
Rot. Bonds1

About 10H-phenothiazine-2-carboxylic acid;hydrochloride

10H-phenothiazine-2-carboxylic acid;hydrochloride (PubChem CID 142625462) has the molecular formula C13H10ClNO2S and a molecular weight of 279.75 g/mol. Its IUPAC name is 10H-phenothiazine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name10H-phenothiazine-2-carboxylic acid;hydrochloride
PubChem CID142625462
Molecular FormulaC13H10ClNO2S
Molecular Weight279.75 g/mol
Exact Mass279.01
IUPAC Name10H-phenothiazine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1ccc2c(c1)Nc1ccccc1S2
InChIInChI=1S/C13H9NO2S.ClH/c15-13(16)8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)17-12;/h1-7,14H,(H,15,16);1H
InChIKeyOGCZHWOSQUTHGU-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10H-phenothiazine-2-carboxylic acid;hydrochloride?
The IUPAC name of 10H-phenothiazine-2-carboxylic acid;hydrochloride (CID 142625462) is 10H-phenothiazine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 10H-phenothiazine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 10H-phenothiazine-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1ccc2c(c1)Nc1ccccc1S2.
What is the InChIKey of 10H-phenothiazine-2-carboxylic acid;hydrochloride?
The InChIKey is OGCZHWOSQUTHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2S.ClH/c15-13(16)8-5-6-12-10(7-8)14-9-3-1-2-4-11(9)17-12;/h1-7,14H,(H,15,16);1H.
What are the key properties of 10H-phenothiazine-2-carboxylic acid;hydrochloride?
10H-phenothiazine-2-carboxylic acid;hydrochloride has a molecular weight of 279.75 g/mol, XLogP of 4.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenothiazine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 142625462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).