Name: 8-[4-(phenylmethoxy)phenyl]-1,4-dioxaspiro[4,5]decane-8-carbonitrile
SMILES:
N#CC1(c2ccc(OCc3ccccc3)cc2)CCC2(CC1)OCCO2Molecular Processing
Molecular formula
C22H23NO3
Molecular weight
349.43
Exact mass
349.1678
XLogP
4.34
TPSA
51.48
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
97.61
Supplementary Information
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