CC1(C)CC(C)(C)c2cc(C#Cc3ccc(C(=O)O)cc3)cc(C3CC3)c2O1
SMILES: CC1(C)CC(C)(C)c2cc(C#Cc3ccc(C(=O)O)cc3)cc(C3CC3)c2O1

Molecular Processing

Molecular formula
C25H26O3
Molecular weight
374.48
Exact mass
374.1882
XLogP
5.5
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
28
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
110.15

Supplementary Information

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