الاسم: 5 -cyanomethyl-6-methyl-4-(3-nitrophenyl)-2-phenylpyrimidine
SMILES:
Cc1nc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1CC#NMolecular Processing
Molecular formula
C19H14N4O2
Molecular weight
330.35
Exact mass
330.1117
XLogP
4.09
TPSA
92.71
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.105
Molar refractivity
93.61
Supplementary Information
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