Name: methyl 1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
SMILES:
COC(=O)C1CNCCc2c1[nH]c1ccccc21Molecular Processing
Molecular formula
C14H16N2O2
Molecular weight
244.29
Exact mass
244.1212
XLogP
1.57
TPSA
54.12
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
69.63
Supplementary Information
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