Name: (3-Ethynyl-phenyl)-(6-iodo-quinazolin-4-yl)-amine
SMILES:
C#Cc1cccc(Nc2ncnc3ccc(I)cc23)c1Molecular Processing
Molecular formula
C16H10IN3
Molecular weight
371.18
Exact mass
370.9919
XLogP
3.96
TPSA
37.81
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
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
89.91
Supplementary Information
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