10H-5λ4,10-phenothiazin-5-one

• ChemBase ID: 123015
• Molecular Formular: C12H9NOS
• Molecular Mass: 215.27096
• Monoisotopic Mass: 215.04048491
• SMILES: S1(=O)c2c(Nc3c1cccc3)cccc2
• Canonical SMILES: O=S1c2ccccc2Nc2c1cccc2
• InChI: InChI=1S/C12H9NOS/c14-15-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)15/h1-8,13H
• InChIKey: DSAFSORWJPSMQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10H-5λ^4,10-phenothiazin-5-one
• IUPAC Traditional name: phenothiazine-5-oxide
• Synonyms: 10H-phenothiazine 5-oxide

Database IDs

• PubChem SID: 162217368
• PubChem CID: 71014

CALCULATED PROPERTIES

• Acid pKa: 16.875322
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.254533
• LogD (pH = 7.4): 2.2545333
• Log P: 2.2545333
• Molar Refractivity: 62.542 cm^3
• Polarizability: 24.096157 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true