SMILES:
Cl.O=C(O)c1cccc(CN2CN(C3CCCCC3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)c1Molecular Processing
Molecular formula
C31H39ClFN3O4
Molecular weight
572.12
Exact mass
571.2613
XLogP
5.38
TPSA
81.16
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
40
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
2
Fraction Csp3
0.516
Molar refractivity
153.15
Supplementary Information
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