Name: 3-(3,4-dichloro-phenyl)-1-oxiranylmethyl-1H-pyrazole
SMILES:
Clc1ccc(-c2ccn(CC3CO3)n2)cc1ClMolecular Processing
Molecular formula
C12H10Cl2N2O
Molecular weight
269.13
Exact mass
268.017
XLogP
3.26
TPSA
30.35
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
67.42
Supplementary Information
Details werden geladen…
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