Nombre: alkene
SMILES:
Oc1cccc(C(OCCI)=C2C3CC4CC(C3)CC2C4)c1Molecular Processing
Molecular formula
C19H23IO2
Molecular weight
410.3
Exact mass
410.0743
XLogP
5.01
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
22
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
96.91
Supplementary Information
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