SMILES:
C=CCOC(=O)C=Cc1cccc(N)c1Molecular Processing
Molecular formula
C12H13NO2
Molecular weight
203.24
Exact mass
203.0946
XLogP
2.01
TPSA
52.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
15
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
0.083
Molar refractivity
61.04
Supplementary Information
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