CN(C)c1ccc(C(O)C#Cc2ccc(C(=O)O)cc2)cc1C(C)(C)C
SMILES: CN(C)c1ccc(C(O)C#Cc2ccc(C(=O)O)cc2)cc1C(C)(C)C

Molecular Processing

Molecular formula
C22H25NO3
Molecular weight
351.45
Exact mass
351.1834
XLogP
3.83
TPSA
60.77
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
26
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.318
Molar refractivity
104.71

Supplementary Information

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