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ACETONE
ID: ALA14253
Max Phase: Unknown
Molecular Formula: C3H6O
Molecular Weight: 58.08
Molecule Type: Small molecule
Associated Items:
ID: ALA14253
Max Phase: Unknown
Molecular Formula: C3H6O
Molecular Weight: 58.08
Molecule Type: Small molecule
Associated Items:
Synonyms (9): 2-Propanone | Acetone | Dimethyl ketone | Dimethylformaldehyde | Propan-2-one | Pyroacetic ether | Taimax | FEMA NO. 3326 | NSC-135802
Synonyms from Alternative Forms(9):
Canonical SMILES: CC(C)=O
Standard InChI: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
Standard InChI Key: CSCPPACGZOOCGX-UHFFFAOYSA-N
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Natural Product: No | 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 |
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Molecular Weight: 58.08 | Molecular Weight (Monoisotopic): 58.0419 | AlogP: 0.60 | #Rotatable Bonds: 0 |
Polar Surface Area: 17.07 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
#RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.11 | CX LogD: 0.11 |
Aromatic Rings: 0 | Heavy Atoms: 4 | QED Weighted: 0.40 | Np Likeness Score: 0.09 |
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