Name: compound 47
SMILES:
O=C(CCl)Nc1cc(O)ccc1OMolecular Processing
Molecular formula
C8H8ClNO3
Molecular weight
201.61
Exact mass
201.0193
XLogP
1.28
TPSA
69.56
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
49.12
Supplementary Information
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