SMILES:
N#CC(c1ccccc1)C(CC(=O)OCC#CCCl)c1ccccc1Molecular Processing
Molecular formula
C21H18ClNO2
Molecular weight
351.83
Exact mass
351.1026
XLogP
4.25
TPSA
50.09
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.238
Molar refractivity
98.05
Supplementary Information
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