名称: 6-Cyanoquinazolin-4-one
SMILES:
N#Cc1ccc2nc[nH]c(=O)c2c1Molecular Processing
Molecular formula
C9H5N3O
Molecular weight
171.16
Exact mass
171.0433
XLogP
0.79
TPSA
69.54
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
47.08
Supplementary Information
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