SMILES:
COc1cc2c(c(OC)c1)CN(C(C)c1ccc(Cl)cc1)C2Molecular Processing
Molecular formula
C18H20ClNO2
Molecular weight
317.82
Exact mass
317.1183
XLogP
4.43
TPSA
21.7
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
88.66
Supplementary Information
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