Name: 4-hydroxy-4-phenylethynyl-octahydro-indole-1-carboxylic acid ethyl ester
SMILES:
CCOC(=O)N1CCC2C1CCCC2(O)C#Cc1ccccc1Molecular Processing
Molecular formula
C19H23NO3
Molecular weight
313.4
Exact mass
313.1678
XLogP
2.8
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
87.74
Supplementary Information
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