이름: 1-(4-chlorophenoxy)-1-(imidazol-1-yl)-3,3-dimethyl-4-chlorobutan-2-ol
SMILES:
CC(C)(CCl)C(O)C(Oc1ccc(Cl)cc1)n1ccnc1Molecular Processing
Molecular formula
C15H18Cl2N2O2
Molecular weight
329.23
Exact mass
328.0745
XLogP
3.74
TPSA
47.28
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
83.85
Supplementary Information
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