Name: 4-(3-hydroxyprop-1-ynyl)-nitrobenzene
SMILES:
O=[N+]([O-])c1ccc(C#CCO)cc1Molecular Processing
Molecular formula
C9H7NO3
Molecular weight
177.16
Exact mass
177.0426
XLogP
0.94
TPSA
63.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
47.06
Supplementary Information
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