이름: 6-(4-(2-aminoethyl)phenyl)-6-(3-pyridyl)hexanoic acid
SMILES:
NCCc1ccc(C(CCCCC(=O)O)c2cccnc2)cc1Molecular Processing
Molecular formula
C19H24N2O2
Molecular weight
312.41
Exact mass
312.1838
XLogP
3.36
TPSA
76.21
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
9
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.368
Molar refractivity
91.38
Supplementary Information
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