SMILES:
Cc1noc2c1CCCC2(O)c1ccoc1Molecular Processing
Molecular formula
C12H13NO3
Molecular weight
219.24
Exact mass
219.0895
XLogP
2.15
TPSA
59.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
55.88
Supplementary Information
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