Name: 4-(5-pyrimidinyl)-benzaldehyde
SMILES:
O=Cc1ccc(-c2cncnc2)cc1Molecular Processing
Molecular formula
C11H8N2O
Molecular weight
184.2
Exact mass
184.0637
XLogP
1.96
TPSA
42.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
52.86
Supplementary Information
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