SMILES:
C#CC[C@H](c1nc2cccnc2c(=O)n1Nc1ccccc1)N(CCCN)C(=O)c1cccc(Cl)c1FMolecular Processing
Molecular formula
C27H24ClFN6O2
Molecular weight
518.98
Exact mass
518.1633
XLogP
4.01
TPSA
106.14
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
37
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
141.57
Supplementary Information
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