SMILES:
O=C1C2COCCN2c2nc(Cl)ncc2N1CC1CCOC1Molecular Processing
Molecular formula
C14H17ClN4O3
Molecular weight
324.77
Exact mass
324.0989
XLogP
0.72
TPSA
67.79
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
22
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.643
Molar refractivity
80.27
Supplementary Information
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