Name: 1-(2-chloro-ethyl)-3-quinolin-4-yl-urea
SMILES:
O=C(NCCCl)Nc1ccnc2ccccc12Molecular Processing
Molecular formula
C12H12ClN3O
Molecular weight
249.7
Exact mass
249.0669
XLogP
2.6
TPSA
54.02
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
69.48
Supplementary Information
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