CC(=O)C(=CNc1ccc(C2=NNC(=O)CC2)cc1)C(C)=O
SMILES: CC(=O)C(=CNc1ccc(C2=NNC(=O)CC2)cc1)C(C)=O

Molecular Processing

Molecular formula
C16H17N3O3
Molecular weight
299.33
Exact mass
299.127
XLogP
1.77
TPSA
87.63
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
83.42

Supplementary Information

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