名称: 4-bromo-5-cyclopropyl-1-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one
SMILES:
Cn1c(C2CC2)c(Br)c(=O)n1-c1ccccc1Molecular Processing
Molecular formula
C13H13BrN2O
Molecular weight
293.16
Exact mass
292.0211
XLogP
2.82
TPSA
26.93
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
70.69
Supplementary Information
詳細情報を取得中…
4 件の反応に参加→