ID: ALA4763542

Max Phase: Preclinical

Molecular Formula: C14H23O3PSe

Molecular Weight: 349.27

Molecule Type: Unknown

Representations

Canonical SMILES:  CCCCOP(=O)(OCCCC)[Se]c1ccccc1

Standard InChI:  InChI=1S/C14H23O3PSe/c1-3-5-12-16-18(15,17-13-6-4-2)19-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3

Standard InChI Key:  MXTQQJDYTJEKQT-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: 349.27

Molecular Weight (Monoisotopic): 350.0550

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