SMILES:
CCO[C@@H]1CNCC[C@@H]1NC(=O)c1nc(CC)c(Cl)[nH]1Molecular Processing
Molecular formula
C13H21ClN4O2
Molecular weight
300.79
Exact mass
300.1353
XLogP
1.12
TPSA
79.04
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.692
Molar refractivity
77.13
Supplementary Information
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