SMILES:
COc1ccc(NC(=O)c2cnccn2)cc1Molecular Processing
Molecular formula
C12H11N3O2
Molecular weight
229.24
Exact mass
229.0851
XLogP
1.74
TPSA
64.11
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
62.98
Supplementary Information
Details werden geladen…
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