COc1cc(C2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)cc(OC)c1OC
SMILES: COc1cc(C2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)cc(OC)c1OC

Molecular Processing

Molecular formula
C22H21N3O4
Molecular weight
391.43
Exact mass
391.1532
XLogP
3.42
TPSA
91.66
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
108.31

Supplementary Information

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