Name: 4-[(4-Amino-phenylamino)-methylene]-4H-isoquinoline-1,3-dione
SMILES:
Nc1ccc(NC=C2C(=O)NC(=O)c3ccccc32)cc1Molecular Processing
Molecular formula
C16H13N3O2
Molecular weight
279.3
Exact mass
279.1008
XLogP
1.99
TPSA
84.22
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
81.37
Supplementary Information
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