이름: 5-methyl-1′,2′,3′,6′-tetrahydro-2,4′-bipyridine
SMILES:
Cc1ccc(C2=CCNCC2)nc1Molecular Processing
Molecular formula
C11H14N2
Molecular weight
174.25
Exact mass
174.1157
XLogP
1.77
TPSA
24.92
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
54.44
Supplementary Information
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