SMILES:
CC#CC(O)(c1cc(-c2cccc(Cl)c2)ccc1N)C1CC1Molecular Processing
Molecular formula
C19H18ClNO
Molecular weight
311.81
Exact mass
311.1077
XLogP
4.21
TPSA
46.25
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.263
Molar refractivity
91.37
Supplementary Information
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