CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCOCC2)C(=O)C=C
الاسم: 4-(4-methylsulfonylphenyl)-5-(oxan-4-yl)pent-1-en-3-one
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCOCC2)C(=O)C=C

Molecular Processing

Molecular formula
C17H22O4S
Molecular weight
322.43
Exact mass
322.1239
XLogP
2.75
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
85.66

Supplementary Information

InChIKey: VBQOXCHVMFGQDJ-UHFFFAOYSA-N
مرادفات
SCHEMBL2901504VBQOXCHVMFGQDJ-UHFFFAOYSA-N4-[4-(methylsulfonyl)phenyl]-5-(tetrahydro-2H-pyran-4-yl)pent-1-en-3-one
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