O=C(c1cc2cc(OC3CCN(C4CCC4)CC3)ccc2n1-c1cncnc1)N1CCC(F)(F)CC1
Name: lithium chloride
SMILES: O=C(c1cc2cc(OC3CCN(C4CCC4)CC3)ccc2n1-c1cncnc1)N1CCC(F)(F)CC1

Molecular Processing

Molecular formula
C27H31F2N5O2
Molecular weight
495.57
Exact mass
495.2446
XLogP
4.69
TPSA
63.49
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
36
Rings
6
Aromatic rings
3
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.519
Molar refractivity
131.81

Supplementary Information

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