名称: compound
SMILES:
CCc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(CC)c1C(=O)OCMolecular Processing
Molecular formula
C16H15Cl2F3N2O2
Molecular weight
395.21
Exact mass
394.0463
XLogP
5.11
TPSA
44.12
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
88.68
Supplementary Information
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