10H-phenothiazin-4-yloxyboronic acid

C12H10BNO3S — CID 174928226

IUPAC10H-phenothiazin-4-yloxyboronic acid
SMILESOB(O)Oc1cccc2c1Sc1ccccc1N2
InChIInChI=1S/C12H10BNO3S/c15-13(16)17-10-6-3-5-9-12(10)18-11-7-2-1-4-8(11)14-9/h1-7,14-16H
InChIKeyPSGDNDCKHZZMOA-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.24
Rot. Bonds2

About 10H-phenothiazin-4-yloxyboronic acid

10H-phenothiazin-4-yloxyboronic acid (PubChem CID 174928226) has the molecular formula C12H10BNO3S and a molecular weight of 259.10 g/mol. Its IUPAC name is 10H-phenothiazin-4-yloxyboronic acid.

Molecular Properties

Compound Name10H-phenothiazin-4-yloxyboronic acid
PubChem CID174928226
Molecular FormulaC12H10BNO3S
Molecular Weight259.10 g/mol
Exact Mass259.05
IUPAC Name10H-phenothiazin-4-yloxyboronic acid
SMILESOB(O)Oc1cccc2c1Sc1ccccc1N2
InChIInChI=1S/C12H10BNO3S/c15-13(16)17-10-6-3-5-9-12(10)18-11-7-2-1-4-8(11)14-9/h1-7,14-16H
InChIKeyPSGDNDCKHZZMOA-UHFFFAOYSA-N
XLogP2.24
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10H-phenothiazin-4-yloxyboronic acid?
The IUPAC name of 10H-phenothiazin-4-yloxyboronic acid (CID 174928226) is 10H-phenothiazin-4-yloxyboronic acid.
What is the SMILES notation for 10H-phenothiazin-4-yloxyboronic acid?
The canonical SMILES for 10H-phenothiazin-4-yloxyboronic acid is OB(O)Oc1cccc2c1Sc1ccccc1N2.
What is the InChIKey of 10H-phenothiazin-4-yloxyboronic acid?
The InChIKey is PSGDNDCKHZZMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BNO3S/c15-13(16)17-10-6-3-5-9-12(10)18-11-7-2-1-4-8(11)14-9/h1-7,14-16H.
What are the key properties of 10H-phenothiazin-4-yloxyboronic acid?
10H-phenothiazin-4-yloxyboronic acid has a molecular weight of 259.10 g/mol, XLogP of 2.24, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-phenothiazin-4-yloxyboronic acid is sourced from PubChem (CID 174928226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).