이름: methyl 2-methyl-5-[4,4,4-trifluoro-3-hydroxy-3-(3,4,5-trichlorophenyl)butanoyl]furan-3-carboxylate

SMILES: CC1=C(C=C(O1)C(=O)CC(C2=CC(=C(C(=C2)Cl)Cl)Cl)(C(F)(F)F)O)C(=O)OC

Molecular Processing

Molecular formula

C17H12Cl3F3O5

Molecular weight

459.63

Exact mass

457.9702

XLogP

5.36

TPSA

76.74

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.294

Molar refractivity

95.16

Supplementary Information

InChIKey: SDCYILZLINRKSD-UHFFFAOYSA-N

동의어

2-methyl-5-[4,4,4-trifluoro-3-hydroxy-3-(3,4,5-trichloro-phenyl)-butyryl]-furan-3-carboxylic acid methyl esterSCHEMBL12495283