2-[2-bromo-6-chloro-4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid

Formula:C14H10N2O4BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-bromo-6-chloro-4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-bromo-6-chloro-4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
MolecularFormula	C14H10N2O4BrClS
Smiles	OC(COc(c(Cl)cc(/C=N\NC(c1cccs1)=O)c1)c1Br)=O
InChI	InChI=1S/C14H10BrClN2O4S/c15-9-4-8(5-10(16)13(9)22-7-12(19)20)6-17-18-14(21)11-2-1-3-23-11/h1-6H,7H2,(H,18,21)(H,19,20)
InChIK	ZKCXTLXXELLTCT-UHFFFAOYSA-N
TotalMolweight	417.666
Molweight	417.666
MonoisotopicMass	415.923316
CLogP	3.4594
CLogS	-5.094
H Acceptors	6
H Donors	2
TotalSurfaceArea	264.84
Relative PSA	0.34931
PolarSurfaceArea	116.23
Druglikeness	4.3946
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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