الاسم: 4-({4-[3-(benzyloxy)propyl]phenyl}methyl)-5-trifluoromethyl-1,2-dihydro-3H-pyrazole-3-one
SMILES:
O=c1[nH][nH]c(C(F)(F)F)c1Cc1ccc(CCCOCc2ccccc2)cc1Molecular Processing
Molecular formula
C21H21F3N2O2
Molecular weight
390.41
Exact mass
390.1555
XLogP
4.46
TPSA
57.88
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
100.08
Supplementary Information
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