SMILES:
COC(=O)C(CC1C2CCC1CC2)N1CC(Oc2ccccc2Cl)=CC1=OMolecular Processing
Molecular formula
C21H24ClNO4
Molecular weight
389.88
Exact mass
389.1394
XLogP
3.81
TPSA
55.84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
27
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
101.24
Supplementary Information
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