2-[4-bromo-2-[(Z)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid

Formula:C25H18N4O4BrClS Mutagenic:high Tumorigenic:none Reproductive Effective:none 2-[4-bromo-2-[(Z)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid is not a drug-like molecule.

MolName	2-[4-bromo-2-[(Z)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormula	C25H18N4O4BrClS
Smiles	OC(COc(cc1)c(/C=N\NC(c(cc2)ccc2-c2csc(Nc(cc3)ccc3Cl)n2)=O)cc1Br)=O
InChI	InChI=1S/C25H18BrClN4O4S/c26-18-5-10-22(35-13-23(32)33)17(11-18)12-28-31-24(34)16-3-1-15(2-4-16)21-14-36-25(30-21)29-20-8-6-19(27)7-9-20/h1-12,14H,13H2,(H,29,30)(H,31,34)(H,32,33)
InChIK	DKUKEXAUNLNCSN-UHFFFAOYSA-N
TotalMolweight	585.865
Molweight	585.865
MonoisotopicMass	583.992064
CLogP	6.3283
CLogS	-8.173
H Acceptors	8
H Donors	3
TotalSurfaceArea	394.58
Relative PSA	0.2913
PolarSurfaceArea	141.15
Druglikeness	3.9561
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! thiazol-2-ylamine; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63889
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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1 - 2-[4-bromo-2-[(Z)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-bromo-2-[(Z)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid

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