CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
SMILES: CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1

Molecular Processing

Molecular formula
C22H19Cl2NO3
Molecular weight
416.3
Exact mass
415.0742
XLogP
6.18
TPSA
59.32
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
107.95

Supplementary Information

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