COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(I)cc2)CC3)c(C(=O)NCCC2CCCN2C)c1
SMILES: COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(I)cc2)CC3)c(C(=O)NCCC2CCCN2C)c1

Molecular Processing

Molecular formula
C28H29F3IN5O3
Molecular weight
667.47
Exact mass
667.1267
XLogP
4.92
TPSA
79.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
40
Rings
5
Aromatic rings
3
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.393
Molar refractivity
152.26

Supplementary Information

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