Nombre: 3-ethenyl-6,7-dihydro-[1,4]oxathiino[2,3-c]pyridazine
SMILES:
C=Cc1cc2c(nn1)OCCS2Molecular Processing
Molecular formula
C8H8N2OS
Molecular weight
180.23
Exact mass
180.0357
XLogP
1.6
TPSA
35.01
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
48.34
Supplementary Information
InChIKey: CPUKZDHVMABENO-UHFFFAOYSA-N
Sinónimos
SCHEMBL2766985CPUKZDHVMABENO-UHFFFAOYSA-N3-ethenyl-6,7-dihydro[1,4]oxathiino[2,3-c]pyridazine
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