SMILES:
N#CC1C=CC2=C(CCCCC2)C1=OMolecular Processing
Molecular formula
C12H13NO
Molecular weight
187.24
Exact mass
187.0997
XLogP
2.53
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
0
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
53.36
Supplementary Information
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