Name: 2-(3,4-Dichloro-phenyl)-3-(6,10-dioxa-spiro[4.5]dec-2-yl)-propionic acid methyl ester
SMILES:
COC(=O)C(CC1CCC2(C1)OCCCO2)c1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C18H22Cl2O4
Molecular weight
373.28
Exact mass
372.0895
XLogP
4.57
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
92.43
Supplementary Information
Details werden geladen…
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