SMILES:
Cc1ccc(CC(C#Cc2ccc(CNCCC(=O)O)cc2)c2cccc(Cl)c2)cc1CMolecular Processing
Molecular formula
C28H28ClNO2
Molecular weight
445.99
Exact mass
445.1809
XLogP
5.9
TPSA
49.33
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
32
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
0.25
Molar refractivity
131.09
Supplementary Information
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