copper;10H-phenothiazin-1-yl acetate

C14H11CuNO2S — CID 70290846

IUPACcopper;10H-phenothiazin-1-yl acetate
SMILESCC(=O)Oc1cccc2c1Nc1ccccc1S2.[Cu]
InChIInChI=1S/C14H11NO2S.Cu/c1-9(16)17-11-6-4-8-13-14(11)15-10-5-2-3-7-12(10)18-13;/h2-8,15H,1H3;
InChIKeyKDFLASZKNZHHPU-UHFFFAOYSA-N
MW320.86 g/mol
LogP3.82
Rot. Bonds1

About copper;10H-phenothiazin-1-yl acetate

copper;10H-phenothiazin-1-yl acetate (PubChem CID 70290846) has the molecular formula C14H11CuNO2S and a molecular weight of 320.86 g/mol. Its IUPAC name is copper;10H-phenothiazin-1-yl acetate.

Molecular Properties

Compound Namecopper;10H-phenothiazin-1-yl acetate
PubChem CID70290846
Molecular FormulaC14H11CuNO2S
Molecular Weight320.86 g/mol
Exact Mass319.98
IUPAC Namecopper;10H-phenothiazin-1-yl acetate
SMILESCC(=O)Oc1cccc2c1Nc1ccccc1S2.[Cu]
InChIInChI=1S/C14H11NO2S.Cu/c1-9(16)17-11-6-4-8-13-14(11)15-10-5-2-3-7-12(10)18-13;/h2-8,15H,1H3;
InChIKeyKDFLASZKNZHHPU-UHFFFAOYSA-N
XLogP3.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper;10H-phenothiazin-1-yl acetate?
The IUPAC name of copper;10H-phenothiazin-1-yl acetate (CID 70290846) is copper;10H-phenothiazin-1-yl acetate.
What is the SMILES notation for copper;10H-phenothiazin-1-yl acetate?
The canonical SMILES for copper;10H-phenothiazin-1-yl acetate is CC(=O)Oc1cccc2c1Nc1ccccc1S2.[Cu].
What is the InChIKey of copper;10H-phenothiazin-1-yl acetate?
The InChIKey is KDFLASZKNZHHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2S.Cu/c1-9(16)17-11-6-4-8-13-14(11)15-10-5-2-3-7-12(10)18-13;/h2-8,15H,1H3;.
What are the key properties of copper;10H-phenothiazin-1-yl acetate?
copper;10H-phenothiazin-1-yl acetate has a molecular weight of 320.86 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;10H-phenothiazin-1-yl acetate is sourced from PubChem (CID 70290846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).