Name: ester
SMILES:
COC(=O)Cc1c(C)[nH]c2ccc(OC)cc12Molecular Processing
Molecular formula
C13H15NO3
Molecular weight
233.27
Exact mass
233.1052
XLogP
2.2
TPSA
51.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
65.31
Supplementary Information
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Involved in 9 reactions→