COc1ccc(C(=O)Cl)cc1C12CC3CC(CC(C3)C1)C2
SMILES: COc1ccc(C(=O)Cl)cc1C12CC3CC(CC(C3)C1)C2

Molecular Processing

Molecular formula
C18H21ClO2
Molecular weight
304.82
Exact mass
304.123
XLogP
4.54
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Rings
5
Aromatic rings
1
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.611
Molar refractivity
83.03

Supplementary Information

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