이름: compound 2b
SMILES:
Cc1c(-c2ccccc2Cl)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(F)(F)FMolecular Processing
Molecular formula
C27H22ClF4N3O2
Molecular weight
531.94
Exact mass
531.1337
XLogP
5.55
TPSA
70.02
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
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
134.02
Supplementary Information
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