C#CC1N(C(=O)Oc2ccccc2)c2ccc(OC)cc2C23OC12CCCC3=O
Name: Compound 314
SMILES: C#CC1N(C(=O)Oc2ccccc2)c2ccc(OC)cc2C23OC12CCCC3=O

Molecular Processing

Molecular formula
C23H19NO5
Molecular weight
389.41
Exact mass
389.1263
XLogP
3.43
TPSA
68.37
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
29
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.304
Molar refractivity
104.91

Supplementary Information

Details werden geladen…

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