이름: 1H-indole-2,5-dicarboxylic acid diethyl ester
SMILES:
CCOC(=O)c1ccc2[nH]c(C(=O)OCC)cc2c1Molecular Processing
Molecular formula
C14H15NO4
Molecular weight
261.28
Exact mass
261.1001
XLogP
2.52
TPSA
68.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
70.21
Supplementary Information
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