ID: ALA82293

Max Phase: Unknown

Molecular Formula: C16H32O2

Molecular Weight: 256.43

Molecule Type: Small molecule

Representations

Synonyms (12): Cetyl acid | Cetylic acid | N-hexadecanoic acid | Palmitate | Palmitic acid | Prifac-2960 | Pristerene-4934 | FEMA NO. 2832 | IMEX C 1498 | KORTACID 1698 | LOXIOL EP 278 | NSC-5030
Synonyms from Alternative Forms(12):

Canonical SMILES:  CCCCCCCCCCCCCCCC(=O)O

Standard InChI:  InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

Standard InChI Key:  IPCSVZSSVZVIGE-UHFFFAOYSA-N

Molecule Features

Natural Product: Yes

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: Yes

Availability: No

Prodrug: No

Properties

Molecular Weight: 256.43

Molecular Weight (Monoisotopic): 256.2402

AlogP: 5.55

#Rotatable Bonds: 14

Polar Surface Area: 37.30

Molecular Species: ACID

HBA: 1

HBD: 1

#RO5 Violations: 1

HBA (Lipinski): 2

HBD (Lipinski): 1

#RO5 Violations (Lipinski): 1

CX Acidic pKa: 4.95

CX Basic pKa:

CX LogP: 6.26

CX LogD: 3.84

Aromatic Rings: 0

Heavy Atoms: 18

QED Weighted: 0.41

Np Likeness Score: 0.39

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Source

Source(7):

• Scientific Literature
• PubChem BioAssays
• USP Dictionary of USAN and International Drug Names
• TP-search Transporter Database
• Patent Bioactivity Data
• SARS-CoV-2 Screening Data 2020-21
• IMI-CARE SARS-CoV-2 Data