이름: 1-(2-chloro-ethyl)-3-(2-methyl-quinolin-4-yl)-urea
SMILES:
Cc1cc(NC(=O)NCCCl)c2ccccc2n1Molecular Processing
Molecular formula
C13H14ClN3O
Molecular weight
263.73
Exact mass
263.0825
XLogP
2.9
TPSA
54.02
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
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
0.231
Molar refractivity
74.22
Supplementary Information
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