The store will not work correctly when cookies are disabled.
ID: ALA3214049
Max Phase: Preclinical
Molecular Formula: C14H12ClNO2
Molecular Weight: 261.71
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O/N=C/c1ccccc1OCc1ccccc1Cl
Standard InChI: InChI=1S/C14H12ClNO2/c15-13-7-3-1-6-12(13)10-18-14-8-4-2-5-11(14)9-16-17/h1-9,17H,10H2/b16-9+
Standard InChI Key: YEMBTGSCXXONLN-CXUHLZMHSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 261.71 | Molecular Weight (Monoisotopic): 261.0557 | AlogP: 3.73 | #Rotatable Bonds: 4 |
| Polar Surface Area: 41.82 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.20 | CX Basic pKa: 1.69 | CX LogP: 3.87 | CX LogD: 2.67 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.52 | Np Likeness Score: -1.31 |
References
| 1. PubChem BioAssay data set, |
