C#CCC(c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccc(Cl)c1F
SMILES: C#CCC(c1nc2cc(Cl)ccc2c(=O)n1Nc1ccccc1)N(CCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccc(Cl)c1F

Molecular Processing

Molecular formula
C36H26Cl2FN5O4
Molecular weight
682.54
Exact mass
681.1346
XLogP
6.61
TPSA
104.61
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
48
Rings
6
Aromatic rings
5
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.139
Molar refractivity
181.54

Supplementary Information

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