SMILES:
COc1cccc2c1CCC(NCc1ccccc1)C2Molecular Processing
Molecular formula
C18H21NO
Molecular weight
267.37
Exact mass
267.1623
XLogP
3.34
TPSA
21.26
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
20
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
0.333
Molar refractivity
82.09
Supplementary Information
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