COc1cc(/C(C#N)=C\c2ccc(Cl)c(N)c2)cc(OC)c1OC
SMILES: COc1cc(/C(C#N)=C\c2ccc(Cl)c(N)c2)cc(OC)c1OC

Molecular Processing

Molecular formula
C18H17ClN2O3
Molecular weight
344.8
Exact mass
344.0928
XLogP
4.01
TPSA
77.5
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
95.45

Supplementary Information

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