ID: ALA4794389

Max Phase: Preclinical

Molecular Formula: C9H13O4PSe

Molecular Weight: 295.13

Molecule Type: Unknown

Representations

Canonical SMILES:  COc1ccc([Se]P(=O)(OC)OC)cc1

Standard InChI:  InChI=1S/C9H13O4PSe/c1-11-8-4-6-9(7-5-8)15-14(10,12-2)13-3/h4-7H,1-3H3

Standard InChI Key:  AQVSDMBJFJYVSY-UHFFFAOYSA-N

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Properties

Molecular Weight: 295.13

Molecular Weight (Monoisotopic): 295.9717

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Mailahn DH,Iarocz LEB,Nobre PC,Perin G,Sinott A,Pesarico AP,Birmann PT,Savegnago L,Silva MS.  (2021)  A greener protocol for the synthesis of phosphorochalcogenoates: Antioxidant and free radical scavenging activities.,  213  [PMID:33272781] [10.1016/j.ejmech.2020.113052]

Source

Source(1):

• Scientific Literature