Name: 4-{[(1S,2R)-2-methylcyclohexyl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
SMILES:
C[C@@H]1CCCC[C@@H]1Nc1c(C(=O)O)cnc2[nH]ccc12Molecular Processing
Molecular formula
C15H19N3O2
Molecular weight
273.34
Exact mass
273.1477
XLogP
3.25
TPSA
78.01
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
78.1
Supplementary Information
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