COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1
SMILES: COc1cccc(C(C)NC(=O)c2ccc(-c3ccncc3)cc2)c1

Molecular Processing

Molecular formula
C21H20N2O2
Molecular weight
332.4
Exact mass
332.1525
XLogP
4.25
TPSA
51.22
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
98.55

Supplementary Information

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