SMILES:
COc1ccc2c(C(Cl)C3CCCCC3)c(C)oc2c1Molecular Processing
Molecular formula
C17H21ClO2
Molecular weight
292.81
Exact mass
292.123
XLogP
5.61
TPSA
22.37
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.529
Molar refractivity
82.67
Supplementary Information
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