이름: 3-acetoxymethylcarbostyril
SMILES:
CC(=O)OCc1cc2ccccc2[nH]c1=OMolecular Processing
Molecular formula
C12H11NO3
Molecular weight
217.22
Exact mass
217.0739
XLogP
1.59
TPSA
59.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
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
0.167
Molar refractivity
60.04
Supplementary Information
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