SMILES:
O=C1OC2CC1N(C(=O)C1(c3ccc(Cl)cc3)CC1)C2Molecular Processing
Molecular formula
C15H14ClNO3
Molecular weight
291.73
Exact mass
291.0662
XLogP
1.9
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
72.36
Supplementary Information
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