CC(=O)OC1=CCC(C)(C)c2cc(C#Cc3ccc(C(=O)O)cc3)ccc21
SMILES: CC(=O)OC1=CCC(C)(C)c2cc(C#Cc3ccc(C(=O)O)cc3)ccc21

Molecular Processing

Molecular formula
C23H20O4
Molecular weight
360.41
Exact mass
360.1362
XLogP
4.37
TPSA
63.6
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.217
Molar refractivity
103.21

Supplementary Information

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