SMILES:
OCc1ncccc1OMolecular Processing
Molecular formula
C6H7NO2
Molecular weight
125.13
Exact mass
125.0477
XLogP
0.28
TPSA
53.35
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
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
0.167
Molar refractivity
31.82
Supplementary Information
Details werden geladen…
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