名称: 6-iodo-4-methyl-β-carboline-3-carboxylic acid ethyl ester
SMILES:
CCOC(=O)c1ncc2[nH]c3ccc(I)cc3c2c1CMolecular Processing
Molecular formula
C15H13IN2O2
Molecular weight
380.19
Exact mass
380.0022
XLogP
3.81
TPSA
54.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
87.01
Supplementary Information
詳細情報を取得中…
5 件の反応に参加→