Name: 3-(4-(benzyloxy)phenyl)-5-chloroisonicotinonitrile
SMILES:
N#Cc1c(Cl)cncc1-c1ccc(OCc2ccccc2)cc1Molecular Processing
Molecular formula
C19H13ClN2O
Molecular weight
320.78
Exact mass
320.0716
XLogP
4.85
TPSA
45.91
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.053
Molar refractivity
90.17
Supplementary Information
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