이름: 3-(3-chlorophenyl)hexahydro-1-benzofuran-2(3H)-one
SMILES:
O=C1OC2CCCCC2C1c1cccc(Cl)c1Molecular Processing
Molecular formula
C14H15ClO2
Molecular weight
250.73
Exact mass
250.0761
XLogP
3.54
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
66.03
Supplementary Information
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