[4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate

Formula:C20H15N2O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
MolecularFormula	C20H15N2O3BrS
Smiles	O=C(Cc1cccs1)N/N=C\c(cc1)ccc1OC(c1cccc(Br)c1)=O
InChI	InChI=1S/C20H15BrN2O3S/c21-16-4-1-3-15(11-16)20(25)26-17-8-6-14(7-9-17)13-22-23-19(24)12-18-5-2-10-27-18/h1-11,13H,12H2,(H,23,24)
InChIK	STYZTVJLFZNIKE-UHFFFAOYSA-N
TotalMolweight	443.32
Molweight	443.32
MonoisotopicMass	441.998674
CLogP	5.222
CLogS	-6
H Acceptors	5
H Donors	1
TotalSurfaceArea	302.83
Relative PSA	0.26223
PolarSurfaceArea	96
Druglikeness	4.1663
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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