이름: #99
SMILES:
CCOC(=O)C(C#N)(NC(C)=O)C1Cc2ccccc21Molecular Processing
Molecular formula
C15H16N2O3
Molecular weight
272.3
Exact mass
272.1161
XLogP
1.29
TPSA
79.19
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
71.68
Supplementary Information
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