CN(C)CC1=CNC2=CC=CC(=C21)C(=O)OC.I
名称: methyl 3-[(dimethylamino)methyl]-1H-indole-4-carboxylate;hydroiodide
SMILES: CN(C)CC1=CNC2=CC=CC(=C21)C(=O)OC.I

Molecular Processing

Molecular formula
C13H17IN2O2
Molecular weight
360.19
Exact mass
360.0335
XLogP
2.63
TPSA
45.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.308
Molar refractivity
82.44

Supplementary Information

InChIKey: BCFYSHALFYKQOW-UHFFFAOYSA-N
同義語
SCHEMBL5646957BCFYSHALFYKQOW-UHFFFAOYSA-N3-dimethylaminomethyl-1H-indole-4-carboxylic acid methyl ester hydroiodide
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