SMILES:
COc1cccc2c1CC(NCc1ccccc1)CCC2Molecular Processing
Molecular formula
C19H23NO
Molecular weight
281.4
Exact mass
281.178
XLogP
3.73
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
86.71
Supplementary Information
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