Name: N4-(3-ethynylphenyl)-7-fluoroquinazoline-4,6-diamine
SMILES:
C#Cc1cccc(Nc2ncnc3cc(F)c(N)cc23)c1Molecular Processing
Molecular formula
C16H11FN4
Molecular weight
278.29
Exact mass
278.0968
XLogP
3.08
TPSA
63.83
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
81.57
Supplementary Information
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