SMILES:
CC(=O)NN=C(C)c1ccncc1Molecular Processing
Molecular formula
C9H11N3O
Molecular weight
177.21
Exact mass
177.0902
XLogP
0.94
TPSA
54.35
H-bond donors
1
H-bond acceptors
3
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
50.26
Supplementary Information
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