이름: compound ( 3 )
SMILES:
CN(C)c1cc(C=O)ccc1OMolecular Processing
Molecular formula
C9H11NO2
Molecular weight
165.19
Exact mass
165.079
XLogP
1.27
TPSA
40.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
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
0.222
Molar refractivity
47.82
Supplementary Information
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