SMILES:
O=C1CCC(c2cccc(OCCO)c2)N1c1cnc(Oc2ccc(Cl)cc2)cn1Molecular Processing
Molecular formula
C22H20ClN3O4
Molecular weight
425.87
Exact mass
425.1142
XLogP
4.16
TPSA
84.78
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
112.04
Supplementary Information
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