2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]-N'-hydroxyethanimidamide

Formula:C15H13N3O2ClF3 Mutagenic:none Tumorigenic:high Reproductive Effective:low 2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]-N'-hydroxyethanimidamide is a drug-like molecule.

MolName2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]-N'-hydroxyethanimidamide
MolecularFormulaC15H13N3O2ClF3
SmilesN/C(/Cc(cc1)ccc1OCc(ncc(C(F)(F)F)c1)c1Cl)=N/O
InChIInChI=1S/C15H13ClF3N3O2/c16-12-6-10(15(17,18)19)7-21-13(12)8-24-11-3-1-9(2-4-11)5-14(20)22-23/h1-4,6-7,23H,5,8H2,(H2,20,22)
InChIKMUQMSCOGAGEEJT-UHFFFAOYSA-N
TotalMolweight359.734
Molweight359.734
MonoisotopicMass359.064838
CLogP3.2219
CLogS-4.129
H Acceptors5
H Donors2
TotalSurfaceArea252.02
Relative PSA0.24145
PolarSurfaceArea80.73
Druglikeness-8.7724
Mutagenicnone
Tumorigenichigh
Reproductive Effectivelow
Irritanthigh
Nasty Functions
Shape Index0.66667
Fragments1
Non HAtoms24
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond6
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms5
Symmetricatoms4
Aromatic Nitrogens1
StereoCon

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