O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1Cc1ccc(Cl)c(Cl)c1
SMILES: O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1Cc1ccc(Cl)c(Cl)c1

Molecular Processing

Molecular formula
C27H21Cl2F6N3O3
Molecular weight
620.38
Exact mass
619.0864
XLogP
7.51
TPSA
66.69
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
41
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.296
Molar refractivity
139.81

Supplementary Information

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