CC(C)OC1=Nc2cc(C#Cc3ccc(C(=O)O)cc3)ccc2C(C)(C)C1
SMILES: CC(C)OC1=Nc2cc(C#Cc3ccc(C(=O)O)cc3)ccc2C(C)(C)C1

Molecular Processing

Molecular formula
C23H23NO3
Molecular weight
361.44
Exact mass
361.1678
XLogP
4.92
TPSA
58.89
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
0.304
Molar refractivity
106.78

Supplementary Information

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