CCSC1=CC=C(C=C1)CC2=C(NNC2=O)C
الاسم: 4-[(4-ethylsulfanylphenyl)methyl]-5-methyl-1,2-dihydropyrazol-3-one
SMILES: CCSC1=CC=C(C=C1)CC2=C(NNC2=O)C

Molecular Processing

Molecular formula
C13H16N2OS
Molecular weight
248.35
Exact mass
248.0983
XLogP
2.71
TPSA
48.65
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
71.8

Supplementary Information

InChIKey: AWYPGVQMFPKZFH-UHFFFAOYSA-N
مرادفات
SCHEMBL2253149AWYPGVQMFPKZFH-UHFFFAOYSA-N4-[(4-ethylthiophenyl)methyl]-1,2-dihydro-5-methyl-3h-pyrazol-3-one
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