이름: 6-(3,4-Dihydro-4-methanesulfonyl-1,4(2H)-benzoxazin-6-yl)-2,3,4,5-tetrahydropyridazin-3-one
SMILES:
CS(=O)(=O)N1CCOc2ccc(C3=NNC(=O)CC3)cc21Molecular Processing
Molecular formula
C13H15N3O4S
Molecular weight
309.35
Exact mass
309.0783
XLogP
0.46
TPSA
88.07
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
78.04
Supplementary Information
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