이름: 5-chloro-2-(2-phenylpyrrolidin-1-yl)nicotinic acid
SMILES:
O=C(O)c1cc(Cl)cnc1N1CCCC1c1ccccc1Molecular Processing
Molecular formula
C16H15ClN2O2
Molecular weight
302.76
Exact mass
302.0822
XLogP
3.77
TPSA
53.43
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
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
0.25
Molar refractivity
81.97
Supplementary Information
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