SMILES:
CCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1ClMolecular Processing
Molecular formula
C17H24ClN3O2
Molecular weight
337.85
Exact mass
337.1557
XLogP
4.05
TPSA
56.49
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
91.1
Supplementary Information
Details werden geladen…
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