COC1=C(C=C(C=C1)CCC2(CC(=O)CC(=O)O2)C3CCCC3)Cl
الاسم: 6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyloxane-2,4-dione
SMILES: COC1=C(C=C(C=C1)CCC2(CC(=O)CC(=O)O2)C3CCCC3)Cl

Molecular Processing

Molecular formula
C19H23ClO4
Molecular weight
350.84
Exact mass
350.1285
XLogP
4.12
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
91.35

Supplementary Information

InChIKey: DOUHSGTYZGUXDN-UHFFFAOYSA-N
مرادفات
CHEMBL215735SCHEMBL3985509DOUHSGTYZGUXDN-UHFFFAOYSA-NBDBM501909636-(3-chloro-4-methoxyphenethyl)-6-cyclopentyl-dihydro-3H-pyran-2,4-dione6-[2-(3-Chloro-4-methoxy-phenyl)-ethyl]-6-cyclopentyl-dihydro-pyran-2,4-dione6-[2-(3-chloro-4-methoxy-phenyl)ethyl]-6-cyclopentyl-tetrahydropyran-2,4-dione6-[2-(3-chloro-4-methoxyphenyl)ethyl]-6-cyclopentyldihydro-2H-pyran-2,4(3H)-dione
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