Name: 6-(4-cyclopentyl-piperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid hydrochloride
SMILES:
Cl.O=C(O)c1cc2ccc(N3CCN(C4CCCC4)CC3)nc2[nH]1Molecular Processing
Molecular formula
C17H23ClN4O2
Molecular weight
350.85
Exact mass
350.151
XLogP
2.75
TPSA
72.46
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.529
Molar refractivity
96.34
Supplementary Information
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