c1ccc(C2COc3cc(OCC4CO4)ccc3C2)cc1
Name: 1,2-epoxy-3-(3-phenyl-3,4-dihydro-2H-1-benzopyrane-7-yloxy)-propane
SMILES: c1ccc(C2COc3cc(OCC4CO4)ccc3C2)cc1

Molecular Processing

Molecular formula
C18H18O3
Molecular weight
282.34
Exact mass
282.1256
XLogP
3.18
TPSA
30.99
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
21
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
80.06

Supplementary Information

Details werden geladen…

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