SMILES:
Cc1cccc(C)c1NNC(N)=OMolecular Processing
Molecular formula
C9H13N3O
Molecular weight
179.22
Exact mass
179.1059
XLogP
1.3
TPSA
67.15
H-bond donors
3
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
52.26
Supplementary Information
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