4-chloro-N-[2-oxo-2-[(2Z)-2-[(2,4,6-tribromo-3-hydroxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

Formula:C16H11N3O3Br3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-chloro-N-[2-oxo-2-[(2Z)-2-[(2,4,6-tribromo-3-hydroxyphenyl)methylidene]hydrazinyl]ethyl]benzamide is not a drug-like molecule.

MolName	4-chloro-N-[2-oxo-2-[(2Z)-2-[(2,4,6-tribromo-3-hydroxyphenyl)methylidene]hydrazinyl]ethyl]benzamide
MolecularFormula	C16H11N3O3Br3Cl
Smiles	Oc(c(Br)cc(Br)c1/C=N\NC(CNC(c(cc2)ccc2Cl)=O)=O)c1Br
InChI	InChI=1S/C16H11Br3ClN3O3/c17-11-5-12(18)15(25)14(19)10(11)6-22-23-13(24)7-21-16(26)8-1-3-9(20)4-2-8/h1-6,25H,7H2,(H,21,26)(H,23,24)
InChIK	HNFMSUVOHMLXES-UHFFFAOYSA-N
TotalMolweight	568.446
Molweight	568.446
MonoisotopicMass	564.803902
CLogP	4.7212
CLogS	-6.43
H Acceptors	6
H Donors	3
TotalSurfaceArea	307.62
Relative PSA	0.23929
PolarSurfaceArea	90.79
Druglikeness	3.5489
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - 4-chloro-N-[2-oxo-2-[(2Z)-2-[(2,4,6-tribromo-3-hydroxyphenyl)methylidene]hydrazinyl]ethyl]benzamide | 2 - 4-chloro-N-[2-oxo-2-[(2Z)-2-[(2,4,6-tribromo-3-hydroxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

Request More Details | 4-chloro-N-[2-oxo-2-[(2Z)-2-[(2,4,6-tribromo-3-hydroxyphenyl)methylidene]hydrazinyl]ethyl]benzamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments