COC(=O)CCc1cccc(N)c1
SMILES: COC(=O)CCc1cccc(N)c1

Molecular Processing

Molecular formula
C10H13NO2
Molecular weight
179.22
Exact mass
179.0946
XLogP
1.37
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
51.19

Supplementary Information

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