Name: intermediate 4
SMILES:
CCCCn1ccc(O)c(C#N)c1=OMolecular Processing
Molecular formula
C10H12N2O2
Molecular weight
192.22
Exact mass
192.0899
XLogP
1.23
TPSA
66.02
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
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
0.4
Molar refractivity
51.99
Supplementary Information
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