SMILES:
C#CCC=C(C)C(C#C)OC(=O)C(c1ccc(Cl)cc1)C(C)CMolecular Processing
Molecular formula
C20H21ClO2
Molecular weight
328.84
Exact mass
328.123
XLogP
4.59
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
94.95
Supplementary Information
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