Name: N-(3-ethynylphenyl)-7-fluoro-6-nitroquinazolin-4-amine
SMILES:
C#Cc1cccc(Nc2ncnc3cc(F)c([N+](=O)[O-])cc23)c1Molecular Processing
Molecular formula
C16H9FN4O2
Molecular weight
308.27
Exact mass
308.071
XLogP
3.4
TPSA
80.95
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
83.81
Supplementary Information
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