phenyl phenothiazine-10-carboxylate

C19H13NO2S — CID 3773589

IUPACphenyl phenothiazine-10-carboxylate
SMILESO=C(Oc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H13NO2S/c21-19(22-14-8-2-1-3-9-14)20-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)20/h1-13H
InChIKeyFGMRQVNHYGGLSF-UHFFFAOYSA-N
MW319.39 g/mol
LogP5.49
Rot. Bonds1

About phenyl phenothiazine-10-carboxylate

phenyl phenothiazine-10-carboxylate (PubChem CID 3773589) has the molecular formula C19H13NO2S and a molecular weight of 319.39 g/mol. Its IUPAC name is phenyl phenothiazine-10-carboxylate.

Molecular Properties

Compound Namephenyl phenothiazine-10-carboxylate
PubChem CID3773589
Molecular FormulaC19H13NO2S
Molecular Weight319.39 g/mol
Exact Mass319.07
IUPAC Namephenyl phenothiazine-10-carboxylate
SMILESO=C(Oc1ccccc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H13NO2S/c21-19(22-14-8-2-1-3-9-14)20-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)20/h1-13H
InChIKeyFGMRQVNHYGGLSF-UHFFFAOYSA-N
XLogP5.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.39
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze phenyl phenothiazine-10-carboxylate 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 phenyl phenothiazine-10-carboxylate?
The IUPAC name of phenyl phenothiazine-10-carboxylate (CID 3773589) is phenyl phenothiazine-10-carboxylate.
What is the SMILES notation for phenyl phenothiazine-10-carboxylate?
The canonical SMILES for phenyl phenothiazine-10-carboxylate is O=C(Oc1ccccc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of phenyl phenothiazine-10-carboxylate?
The InChIKey is FGMRQVNHYGGLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO2S/c21-19(22-14-8-2-1-3-9-14)20-15-10-4-6-12-17(15)23-18-13-7-5-11-16(18)20/h1-13H.
What are the key properties of phenyl phenothiazine-10-carboxylate?
phenyl phenothiazine-10-carboxylate has a molecular weight of 319.39 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl phenothiazine-10-carboxylate is sourced from PubChem (CID 3773589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).