이름: 2-(6-Chloro-3-nitropyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILES:
O=[N+]([O-])c1ccc(Cl)nc1N1CCc2ccccc2C1Molecular Processing
Molecular formula
C14H12ClN3O2
Molecular weight
289.72
Exact mass
289.0618
XLogP
3.21
TPSA
59.27
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
77.1
Supplementary Information
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