SMILES:
COc1cc2c(cc1OC)CC(=O)N(CCCCl)CC2Molecular Processing
Molecular formula
C15H20ClNO3
Molecular weight
297.78
Exact mass
297.1132
XLogP
2.26
TPSA
38.77
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
78.87
Supplementary Information
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