SMILES:
O=C(CCCCCl)c1cc2c3c(c1)CCN3C(=O)CC2Molecular Processing
Molecular formula
C16H18ClNO2
Molecular weight
291.78
Exact mass
291.1026
XLogP
3.11
TPSA
37.38
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
79.72
Supplementary Information
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