SMILES:
COc1cc(C#CC2=CCC(C=C(C)C(=O)O)C=C2)cc2c1C(N(C)C1CC1)CCC2(C)CMolecular Processing
Molecular formula
C29H35NO3
Molecular weight
445.6
Exact mass
445.2617
XLogP
5.79
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
33
Rings
4
Aromatic rings
1
Saturated rings
1
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.483
Molar refractivity
132.38
Supplementary Information
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