CCc1cc(C#Cc2ccc(CC(=O)O)cc2)cc2c1OC(C)(C)CC2(C)C
SMILES: CCc1cc(C#Cc2ccc(CC(=O)O)cc2)cc2c1OC(C)(C)CC2(C)C

Molecular Processing

Molecular formula
C25H28O3
Molecular weight
376.5
Exact mass
376.2038
XLogP
5.11
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
111.93

Supplementary Information

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