名称: (2-methyl-4,5-(methylenedioxy)phenyl)(2-chloro-4-trifluoromethyl-3-pyridyl)methanol
SMILES:
Cc1cc2c(cc1C(O)c1c(C(F)(F)F)ccnc1Cl)OCO2Molecular Processing
Molecular formula
C15H11ClF3NO3
Molecular weight
345.7
Exact mass
345.038
XLogP
3.87
TPSA
51.58
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.267
Molar refractivity
75.61
Supplementary Information
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