Nom: 5-hydroxy-methyl-6-methyl-2-phenyl-4-(3-nitrophenyl)pyrimidine
SMILES:
CC1=C(O)C(c2cccc([N+](=O)[O-])c2)=NC(c2ccccc2)N1CMolecular Processing
Molecular formula
C18H17N3O3
Molecular weight
323.35
Exact mass
323.127
XLogP
3.82
TPSA
78.97
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
91.91
Supplementary Information
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