SMILES:
CC(C)N1C(=O)C2(C)COCCN2c2nc(Cl)ncc21Molecular Processing
Molecular formula
C13H17ClN4O2
Molecular weight
296.76
Exact mass
296.104
XLogP
1.48
TPSA
58.56
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
76.23
Supplementary Information
Details werden geladen…
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