SMILES:
C=Cc1cc2cc(C(C)O)ccc2cn1Molecular Processing
Molecular formula
C13H13NO
Molecular weight
199.25
Exact mass
199.0997
XLogP
2.93
TPSA
33.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
62.47
Supplementary Information
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