[4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

Formula:C21H13N2O3BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
MolecularFormula	C21H13N2O3BrCl2
Smiles	O=C(c1cccc(Br)c1)N/N=C\c(cc1)ccc1OC(c(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C21H13BrCl2N2O3/c22-15-3-1-2-14(10-15)20(27)26-25-12-13-4-7-17(8-5-13)29-21(28)18-9-6-16(23)11-19(18)24/h1-12H,(H,26,27)
InChIK	HPXPTUKLAWEJHC-UHFFFAOYSA-N
TotalMolweight	492.155
Molweight	492.155
MonoisotopicMass	489.948658
CLogP	6.5693
CLogS	-7.497
H Acceptors	5
H Donors	1
TotalSurfaceArea	323.97
Relative PSA	0.18227
PolarSurfaceArea	67.76
Druglikeness	2.2516
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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