SMILES:
O=C(CCl)N1CCC(n2cc3c(n2)CCc2c-3sc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c23)CC1Molecular Processing
Molecular formula
C31H27Cl2FN6O2S
Molecular weight
637.57
Exact mass
636.1277
XLogP
7.17
TPSA
85.17
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
43
Rings
7
Aromatic rings
5
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.29
Molar refractivity
167.08
Supplementary Information
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