4-chloro-N-[(E)-(4,4,4-trifluoro-3-oxo-1-pyridin-2-ylbutylidene)amino]benzamide

Formula:C16H11N3O2ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-N-[(E)-(4,4,4-trifluoro-3-oxo-1-pyridin-2-ylbutylidene)amino]benzamide is a drug-like molecule.

MolName	4-chloro-N-[(E)-(4,4,4-trifluoro-3-oxo-1-pyridin-2-ylbutylidene)amino]benzamide
MolecularFormula	C16H11N3O2ClF3
Smiles	O=C(C/C(/c1ncccc1)=N\NC(c(cc1)ccc1Cl)=O)C(F)(F)F
InChI	InChI=1S/C16H11ClF3N3O2/c17-11-6-4-10(5-7-11)15(25)23-22-13(9-14(24)16(18,19)20)12-3-1-2-8-21-12/h1-8H,9H2,(H,23,25)
InChIK	WDPVLVGRYKHEKN-UHFFFAOYSA-N
TotalMolweight	369.729
Molweight	369.729
MonoisotopicMass	369.049188
CLogP	3.1387
CLogS	-4.978
H Acceptors	5
H Donors	1
TotalSurfaceArea	260.35
Relative PSA	0.23054
PolarSurfaceArea	71.42
Druglikeness	-29.689
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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1 - 4-chloro-N-[(E)-(4,4,4-trifluoro-3-oxo-1-pyridin-2-ylbutylidene)amino]benzamide | 2 - 4-chloro-N-[(E)-(4,4,4-trifluoro-3-oxo-1-pyridin-2-ylbutylidene)amino]benzamide

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