SMILES:
O=C1C(c2c(Cl)cccc2Cl)Cc2cnc(Nc3ccccc3)nc2N1c1ccccc1Molecular Processing
Molecular formula
C25H18Cl2N4O
Molecular weight
461.35
Exact mass
460.0858
XLogP
6.53
TPSA
58.12
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
32
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.08
Molar refractivity
128.25
Supplementary Information
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