SMILES:
C=Cc1cc(C(=O)O)ccn1Molecular Processing
Molecular formula
C8H7NO2
Molecular weight
149.15
Exact mass
149.0477
XLogP
1.42
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
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
Molar refractivity
41.29
Supplementary Information
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