이름: 2-amino-3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-propionic acid methyl ester
SMILES:
COC(=O)C(N)Cc1c[nH]c2nccc(Cl)c12Molecular Processing
Molecular formula
C11H12ClN3O2
Molecular weight
253.69
Exact mass
253.0618
XLogP
1.26
TPSA
81
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
64.8
Supplementary Information
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