SMILES:
O=C(CCc1ccccc1)Nc1cc2c3c(c(-c4ccccc4)[nH]c3c1)C=NNC2=OMolecular Processing
Molecular formula
C25H20N4O2
Molecular weight
408.46
Exact mass
408.1586
XLogP
4.48
TPSA
86.35
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
31
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.08
Molar refractivity
122.19
Supplementary Information
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