Name: 1H-indole-3-carboxylic acid benzyl ester
SMILES:
O=C(OCc1ccccc1)c1c[nH]c2ccccc12Molecular Processing
Molecular formula
C16H13NO2
Molecular weight
251.28
Exact mass
251.0946
XLogP
3.52
TPSA
42.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
73.86
Supplementary Information
Details werden geladen…
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