[4-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

Formula:C23H16N3O3BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
MolecularFormula	C23H16N3O3BrS2
Smiles	O=C(CSc1nc(cccc2)c2s1)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O
InChI	InChI=1S/C23H16BrN3O3S2/c24-18-6-2-1-5-17(18)22(29)30-16-11-9-15(10-12-16)13-25-27-21(28)14-31-23-26-19-7-3-4-8-20(19)32-23/h1-13H,14H2,(H,27,28)
InChIK	BTYWQJHJOWQMNR-UHFFFAOYSA-N
TotalMolweight	526.434
Molweight	526.434
MonoisotopicMass	524.981643
CLogP	6.072
CLogS	-7.403
H Acceptors	6
H Donors	1
TotalSurfaceArea	353.68
Relative PSA	0.30499
PolarSurfaceArea	134.19
Druglikeness	2.673
Mutagenic	none
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	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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1 - [4-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate | 2 - [4-[(Z)-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate

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