Name: 4-(8-amino-7-methylquinazolin-4-ylamino)benzonitrile
SMILES:
Cc1ccc2c(Nc3ccc(C#N)cc3)ncnc2c1NMolecular Processing
Molecular formula
C16H13N5
Molecular weight
275.32
Exact mass
275.1171
XLogP
3.14
TPSA
87.62
H-bond donors
2
H-bond acceptors
5
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
0.062
Molar refractivity
83.13
Supplementary Information
Details werden geladen…
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