[4-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate

Formula:C23H15N3O4BrF Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is a drug-like molecule.

MolName	[4-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
MolecularFormula	C23H15N3O4BrF
Smiles	N#Cc(cc(cc1)Br)c1OCC(N/N=C\c(cc1)ccc1OC(c1cc(F)ccc1)=O)=O
InChI	InChI=1S/C23H15BrFN3O4/c24-18-6-9-21(17(10-18)12-26)31-14-22(29)28-27-13-15-4-7-20(8-5-15)32-23(30)16-2-1-3-19(25)11-16/h1-11,13H,14H2,(H,28,29)
InChIK	ATHASIBFVVACRO-UHFFFAOYSA-N
TotalMolweight	496.291
Molweight	496.291
MonoisotopicMass	495.022996
CLogP	4.8686
CLogS	-6.892
H Acceptors	7
H Donors	1
TotalSurfaceArea	344.95
Relative PSA	0.23948
PolarSurfaceArea	100.78
Druglikeness	-3.4411
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65625
Fragments	1
Non HAtoms	32
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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1 - [4-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [4-[(Z)-[[2-(4-bromo-2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate

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