7-fluorophenothiazin-3-one

C12H6FNOS — CID 13133814

IUPAC7-fluorophenothiazin-3-one
SMILESO=c1ccc2nc3ccc(F)cc3sc-2c1
InChIInChI=1S/C12H6FNOS/c13-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)14-9/h1-6H
InChIKeyIRZROLILLRNLPT-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.90
Rot. Bonds

About 7-fluorophenothiazin-3-one

7-fluorophenothiazin-3-one (PubChem CID 13133814) has the molecular formula C12H6FNOS and a molecular weight of 231.25 g/mol. Its IUPAC name is 7-fluorophenothiazin-3-one.

Molecular Properties

Compound Name7-fluorophenothiazin-3-one
PubChem CID13133814
Molecular FormulaC12H6FNOS
Molecular Weight231.25 g/mol
Exact Mass231.02
IUPAC Name7-fluorophenothiazin-3-one
SMILESO=c1ccc2nc3ccc(F)cc3sc-2c1
InChIInChI=1S/C12H6FNOS/c13-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)14-9/h1-6H
InChIKeyIRZROLILLRNLPT-UHFFFAOYSA-N
XLogP2.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-fluorophenothiazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluorophenothiazin-3-one?
The IUPAC name of 7-fluorophenothiazin-3-one (CID 13133814) is 7-fluorophenothiazin-3-one.
What is the SMILES notation for 7-fluorophenothiazin-3-one?
The canonical SMILES for 7-fluorophenothiazin-3-one is O=c1ccc2nc3ccc(F)cc3sc-2c1.
What is the InChIKey of 7-fluorophenothiazin-3-one?
The InChIKey is IRZROLILLRNLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FNOS/c13-7-1-3-9-11(5-7)16-12-6-8(15)2-4-10(12)14-9/h1-6H.
What are the key properties of 7-fluorophenothiazin-3-one?
7-fluorophenothiazin-3-one has a molecular weight of 231.25 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorophenothiazin-3-one is sourced from PubChem (CID 13133814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).