SMILES:
CC#CC1(C2CC2)OC(=O)Nc2ccc(-c3cccc(Cl)c3)cc21Molecular Processing
Molecular formula
C20H16ClNO2
Molecular weight
337.81
Exact mass
337.087
XLogP
5.2
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
94.84
Supplementary Information
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