الاسم: 1-Oxoindane-5-carbonitrile
SMILES:
N#Cc1ccc2c(c1)CCC2=OMolecular Processing
Molecular formula
C10H7NO
Molecular weight
157.17
Exact mass
157.0528
XLogP
1.69
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
43.81
Supplementary Information
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