이름: 3-(4-(4-methoxyphenyl)piperazin-1-yl)methyl-1H-pyrrolo[2,3-b]pyridine
SMILES:
COc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1Molecular Processing
Molecular formula
C19H22N4O
Molecular weight
322.41
Exact mass
322.1794
XLogP
2.89
TPSA
44.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
24
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
96.58
Supplementary Information
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