SMILES:
Cc1cc2cccnc2c(-c2ccc(Cl)cc2)c1[C@H](OC(C)(C)C)C(=O)OMolecular Processing
Molecular formula
C22H22ClNO3
Molecular weight
383.88
Exact mass
383.1288
XLogP
5.8
TPSA
59.42
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
0.273
Molar refractivity
108.14
Supplementary Information
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