이름: [2-(2,5-Dichloro-pyrimidin-4-ylamino)-phenoxy]-acetonitrile
SMILES:
N#CCOc1ccccc1Nc1nc(Cl)ncc1ClMolecular Processing
Molecular formula
C12H8Cl2N4O
Molecular weight
295.13
Exact mass
294.0075
XLogP
3.43
TPSA
70.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
72.88
Supplementary Information
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