SMILES:
NCC(O)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C9H11NO3
Molecular weight
181.19
Exact mass
181.0739
XLogP
0.41
TPSA
64.71
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
46.58
Supplementary Information
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