SMILES:
CC(C)NC(N)=NC(=O)c1cc2ccccc2[nH]1.ClMolecular Processing
Molecular formula
C13H17ClN4O
Molecular weight
280.76
Exact mass
280.1091
XLogP
2.04
TPSA
83.27
H-bond donors
3
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
2
Fraction Csp3
0.231
Molar refractivity
79.77
Supplementary Information
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