Name: compound 1K
SMILES:
Cc1ccc2c(-c3ccc(Cl)cc3)c([C@@H](CO)OC(C)(C)C)c(Cl)cc2n1Molecular Processing
Molecular formula
C22H23Cl2NO2
Molecular weight
404.34
Exact mass
403.1106
XLogP
6.37
TPSA
42.35
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
112.6
Supplementary Information
Details werden geladen…
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