SMILES:
O=C1Cc2cc(CCN3CCOC3=O)ccc2N1Molecular Processing
Molecular formula
C13H14N2O3
Molecular weight
246.27
Exact mass
246.1004
XLogP
1.18
TPSA
58.64
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
65.4
Supplementary Information
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