SMILES:
Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1C=C1C(=O)Nc2ncnc(Nc3ccc(F)c(Cl)c3)c21.ClMolecular Processing
Molecular formula
C25H26Cl2FN7O3
Molecular weight
562.43
Exact mass
561.1458
XLogP
3.63
TPSA
124.27
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
38
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
2
Fraction Csp3
0.28
Molar refractivity
145.6
Supplementary Information
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