SMILES:
C=CCc1cc(O)cc(CC=C)c1OC(C(=O)OC)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C21H21ClO4
Molecular weight
372.85
Exact mass
372.1128
XLogP
4.8
TPSA
55.76
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.19
Molar refractivity
102.75
Supplementary Information
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