SMILES:
CC#COc1ccncc1Molecular Processing
Molecular formula
C8H7NO
Molecular weight
133.15
Exact mass
133.0528
XLogP
1.44
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
38.32
Supplementary Information
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