Cc1ccc(C#CCOCCN(CCOCc2ccc(-c3nc4ccccc4o3)cc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
SMILES: Cc1ccc(C#CCOCCN(CCOCc2ccc(-c3nc4ccccc4o3)cc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

Molecular Processing

Molecular formula
C47H42N2O3
Molecular weight
682.86
Exact mass
682.3195
XLogP
9.68
TPSA
47.73
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
14
Heavy atoms
52
Rings
7
Aromatic rings
7
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.17
Molar refractivity
208.76

Supplementary Information

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