CC(C(=O)O)c1ccc(C#Cc2cc(CN(C)C3CC3)c3c(c2)C(C)(C)CC(C)(C)O3)cc1
SMILES: CC(C(=O)O)c1ccc(C#Cc2cc(CN(C)C3CC3)c3c(c2)C(C)(C)CC(C)(C)O3)cc1

Molecular Processing

Molecular formula
C29H35NO3
Molecular weight
445.6
Exact mass
445.2617
XLogP
5.71
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
131.75

Supplementary Information

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