1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid

C15H16NO4PS — CID 69302089

IUPAC1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid
SMILESCCC(c1cccc2c1N(O)c1ccccc1S2)P(=O)(O)O
InChIInChI=1S/C15H16NO4PS/c1-2-12(21(18,19)20)10-6-5-9-14-15(10)16(17)11-7-3-4-8-13(11)22-14/h3-9,12,17H,2H2,1H3,(H2,18,19,20)
InChIKeyONLNPFCEJCXSLU-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.31
Rot. Bonds3

About 1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid

1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid (PubChem CID 69302089) has the molecular formula C15H16NO4PS and a molecular weight of 337.34 g/mol. Its IUPAC name is 1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid.

Molecular Properties

Compound Name1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid
PubChem CID69302089
Molecular FormulaC15H16NO4PS
Molecular Weight337.34 g/mol
Exact Mass337.05
IUPAC Name1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid
SMILESCCC(c1cccc2c1N(O)c1ccccc1S2)P(=O)(O)O
InChIInChI=1S/C15H16NO4PS/c1-2-12(21(18,19)20)10-6-5-9-14-15(10)16(17)11-7-3-4-8-13(11)22-14/h3-9,12,17H,2H2,1H3,(H2,18,19,20)
InChIKeyONLNPFCEJCXSLU-UHFFFAOYSA-N
XLogP4.31
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid?
The IUPAC name of 1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid (CID 69302089) is 1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid.
What is the SMILES notation for 1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid?
The canonical SMILES for 1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid is CCC(c1cccc2c1N(O)c1ccccc1S2)P(=O)(O)O.
What is the InChIKey of 1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid?
The InChIKey is ONLNPFCEJCXSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16NO4PS/c1-2-12(21(18,19)20)10-6-5-9-14-15(10)16(17)11-7-3-4-8-13(11)22-14/h3-9,12,17H,2H2,1H3,(H2,18,19,20).
What are the key properties of 1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid?
1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid has a molecular weight of 337.34 g/mol, XLogP of 4.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-hydroxyphenothiazin-1-yl)propylphosphonic acid is sourced from PubChem (CID 69302089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).