الاسم: 2-(2-benzylpyrrolidin-1-yl)-5-chloronicotinic acid
SMILES:
O=C(O)c1cc(Cl)cnc1N1CCCC1Cc1ccccc1Molecular Processing
Molecular formula
C17H17ClN2O2
Molecular weight
316.79
Exact mass
316.0979
XLogP
3.64
TPSA
53.43
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
86.72
Supplementary Information
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