10H-phenothiazine-10-carbonyl chloride

• ChemBase ID: 92310
• Molecular Formular: C13H8ClNOS
• Molecular Mass: 261.72672
• Monoisotopic Mass: 261.00151256
• SMILES: N1(c2c(cccc2)Sc2ccccc12)C(=O)Cl
• Canonical SMILES: ClC(=O)N1c2ccccc2Sc2c1cccc2
• InChI: InChI=1S/C13H8ClNOS/c14-13(16)15-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)15/h1-8H
• InChIKey: MJRIZSDRKPPHTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10H-phenothiazine-10-carbonyl chloride
• IUPAC Traditional name: phenothiazine-10-carbonyl chloride
• Synonyms: 10H-Phenothiazine-10-carbonyl chloride

Database IDs

• MDL Number: MFCD00044216
• PubChem SID: 162079008
• PubChem CID: 87864

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9552112
• LogD (pH = 7.4): 3.9552112
• Log P: 3.9552112
• Molar Refractivity: 71.1536 cm^3
• Polarizability: 27.11347 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true