الاسم: intermediate ( 14 )
SMILES:
CC(=O)N1c2ccccc2CC1C(N)=NOMolecular Processing
Molecular formula
C11H13N3O2
Molecular weight
219.24
Exact mass
219.1008
XLogP
0.71
TPSA
78.92
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
60.5
Supplementary Information
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