Nombre: 2-(2,4-dichlorophenyl-ethenyl)-2-(1-propylmercaptocyclopropyl)-oxirane
SMILES:
CCCSC1(C2(C=Cc3ccc(Cl)cc3Cl)CO2)CC1Molecular Processing
Molecular formula
C16H18Cl2OS
Molecular weight
329.29
Exact mass
328.0455
XLogP
5.45
TPSA
12.53
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
88.89
Supplementary Information
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