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

Formula:C23H15N3O4BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
MolecularFormula	C23H15N3O4BrCl
Smiles	N#Cc(cccc1)c1OCC(N/N=C\c(cc(cc1)Br)c1OC(c(cccc1)c1Cl)=O)=O
InChI	InChI=1S/C23H15BrClN3O4/c24-17-9-10-21(32-23(30)18-6-2-3-7-19(18)25)16(11-17)13-27-28-22(29)14-31-20-8-4-1-5-15(20)12-26/h1-11,13H,14H2,(H,28,29)
InChIK	XCXKDKHPASTXGE-UHFFFAOYSA-N
TotalMolweight	512.746
Molweight	512.746
MonoisotopicMass	510.993445
CLogP	5.3738
CLogS	-7.314
H Acceptors	7
H Donors	1
TotalSurfaceArea	354.02
Relative PSA	0.23335
PolarSurfaceArea	100.78
Druglikeness	-2.0494
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
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
StereoCon

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

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