Name: product
SMILES:
O=C(NOCc1ccccc1)OCC(Cl)(Cl)ClMolecular Processing
Molecular formula
C10H10Cl3NO3
Molecular weight
298.55
Exact mass
296.9726
XLogP
3.21
TPSA
47.56
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
66
Supplementary Information
Details werden geladen…
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