4-fluoro-N-[4-(4-fluorophenyl)-2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]benzamide

Formula:C23H15N5O3F2S Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-fluoro-N-[4-(4-fluorophenyl)-2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]benzamide is not a drug-like molecule.

MolName	4-fluoro-N-[4-(4-fluorophenyl)-2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-1,3-thiazol-5-yl]benzamide
MolecularFormula	C23H15N5O3F2S
Smiles	[O-][N+](c1cccc(/C=N\Nc2nc(-c(cc3)ccc3F)c(NC(c(cc3)ccc3F)=O)s2)c1)=O
InChI	InChI=1S/C23H15F2N5O3S/c24-17-8-4-15(5-9-17)20-22(28-21(31)16-6-10-18(25)11-7-16)34-23(27-20)29-26-13-14-2-1-3-19(12-14)30(32)33/h1-13H,(H,27,29)(H,28,31)
InChIK	KRPGFJCKMJCXTK-UHFFFAOYSA-N
TotalMolweight	479.466
Molweight	479.466
MonoisotopicMass	479.086366
CLogP	6.6631
CLogS	-7.41
H Acceptors	8
H Donors	2
TotalSurfaceArea	349.04
Relative PSA	0.31292
PolarSurfaceArea	140.44
Druglikeness	-2.501
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.52941
Fragments	1
Non HAtoms	34
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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