Nom: 1,5-dichloro-3-(3,4-methylenedioxyphenyl)pentane
SMILES:
ClCCC(CCCl)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C12H14Cl2O2
Molecular weight
261.15
Exact mass
260.0371
XLogP
3.76
TPSA
18.46
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
65.98
Supplementary Information
Récupération des détails…
Impliqué dans 2 réactions→