SMILES:
CCCCC12CCC(=O)C(C)=C1c1ccc(O)c(Cl)c1C2Molecular Processing
Molecular formula
C18H21ClO2
Molecular weight
304.82
Exact mass
304.123
XLogP
4.91
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
85.61
Supplementary Information
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