C#CCC(c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCCNC(=O)OCc1ccccc1)C(=O)c1cccc(Cl)c1F
SMILES: C#CCC(c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCCNC(=O)OCc1ccccc1)C(=O)c1cccc(Cl)c1F

Molecular Processing

Molecular formula
C36H30Cl2FN5O4
Molecular weight
686.57
Exact mass
685.1659
XLogP
7.24
TPSA
105.56
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
12
Heavy atoms
48
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
184.36

Supplementary Information

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