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| CAS No.: | 99873-43-5 |
|---|---|
| Name: | Droxinostat |
| Molecular Structure: | |
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| Formula: | C11H14ClNO3 |
| Molecular Weight: | 243.69 |
| Synonyms: | 4-(4-Chloro-2-methylphenoxy)-N-hydroxybutanamide;Butanamide, 4-(4-chloro-2-methylphenoxy)-N-hydroxy-;4-(4-Chloro-2-methyl-phenoxy)-N-hydroxy-butyramide; |
| Density: | 1.252 g/cm3 |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-39 |
| PSA: | 62.05000 |
| LogP: | 3.15310 |
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Specification
The Droxinostat, with the CAS registry number 99873-43-5, is also known as Butanamide, 4-(4-chloro-2-methylphenoxy)-N-hydroxy-. This chemical's molecular formula is C11H14ClNO3 and molecular weight is 243.69. What's more, its systematic name is 4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide.
Physical properties of Droxinostat are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/BCF (pH 5.5): 13.85; (5)ACD/BCF (pH 7.4): 13.69; (6)ACD/KOC (pH 5.5): 228.41; (7)ACD/KOC (pH 7.4): 225.73; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 61.7 cm3; (14)Molar Volume: 194.6 cm3; (15)Polarizability: 24.46×10-24cm3; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.252 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(c(OCCCC(=O)NO)cc1)C
(2)InChI: InChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)
(3)InChIKey: JHSXDAWGLCZYSM-UHFFFAOYSA-N