N-[(Z)-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide

Formula:C23H15N4O3BrF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide is not a drug-like molecule.

MolName	N-[(Z)-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide
MolecularFormula	C23H15N4O3BrF2
Smiles	N#Cc(cc1)cc(F)c1C(N/N=C\c(cc1)cc(Br)c1OCC(Nc(cc1)ccc1F)=O)=O
InChI	InChI=1S/C23H15BrF2N4O3/c24-19-9-15(12-28-30-23(32)18-7-1-14(11-27)10-20(18)26)2-8-21(19)33-13-22(31)29-17-5-3-16(25)4-6-17/h1-10,12H,13H2,(H,29,31)(H,30,32)
InChIK	YPCVIUPUJOLAJY-UHFFFAOYSA-N
TotalMolweight	513.297
Molweight	513.297
MonoisotopicMass	512.029558
CLogP	4.6864
CLogS	-7.248
H Acceptors	7
H Donors	2
TotalSurfaceArea	352.76
Relative PSA	0.23832
PolarSurfaceArea	103.58
Druglikeness	-2.742
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69697
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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1 - N-[(Z)-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide | 2 - N-[(Z)-[3-bromo-4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-cyano-2-fluorobenzamide

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