2-[2-bromo-4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]-6-chlorophenoxy]acetic acid

Formula:C17H13N2O5Br2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-bromo-4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]-6-chlorophenoxy]acetic acid is not a drug-like molecule.

MolName	2-[2-bromo-4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]-6-chlorophenoxy]acetic acid
MolecularFormula	C17H13N2O5Br2Cl
Smiles	OC(COc(c(Cl)cc(/C=N\NC(COc1cc(Br)ccc1)=O)c1)c1Br)=O
InChI	InChI=1S/C17H13Br2ClN2O5/c18-11-2-1-3-12(6-11)26-8-15(23)22-21-7-10-4-13(19)17(14(20)5-10)27-9-16(24)25/h1-7H,8-9H2,(H,22,23)(H,24,25)
InChIK	OSDFMWYJVPAQLZ-UHFFFAOYSA-N
TotalMolweight	520.56
Molweight	520.56
MonoisotopicMass	517.887972
CLogP	3.8929
CLogS	-5.698
H Acceptors	7
H Donors	2
TotalSurfaceArea	311.29
Relative PSA	0.2639
PolarSurfaceArea	97.22
Druglikeness	2.4552
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	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
AcidicOxygens	1
StereoCon

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1 - 2-[2-bromo-4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]-6-chlorophenoxy]acetic acid | 2 - 2-[2-bromo-4-[(Z)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]-6-chlorophenoxy]acetic acid

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