الاسم: 8-(benzylthio)-8-(nitromethyl)-1,4-dioxaspiro[4.5]decane
SMILES:
O=[N+]([O-])CC1(SCc2ccccc2)CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C16H21NO4S
Molecular weight
323.41
Exact mass
323.1191
XLogP
3.25
TPSA
61.6
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
85.43
Supplementary Information
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