COc1cc(I)c(C(C)O)cc1OC(C)C
名称: alcohol
SMILES: COc1cc(I)c(C(C)O)cc1OC(C)C

Molecular Processing

Molecular formula
C12H17IO3
Molecular weight
336.17
Exact mass
336.0222
XLogP
3.14
TPSA
38.69
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
72.11

Supplementary Information

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