2-[2-chloro-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

Formula:C17H13N2O5Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[2-chloro-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-chloro-4-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
MolecularFormula	C17H13N2O5Cl3
Smiles	OC(COc(ccc(/C=N\NC(COc(ccc(Cl)c1)c1Cl)=O)c1)c1Cl)=O
InChI	InChI=1S/C17H13Cl3N2O5/c18-11-2-4-15(13(20)6-11)26-8-16(23)22-21-7-10-1-3-14(12(19)5-10)27-9-17(24)25/h1-7H,8-9H2,(H,22,23)(H,24,25)
InChIK	RAJAAPXNYNNWLA-UHFFFAOYSA-N
TotalMolweight	431.658
Molweight	431.658
MonoisotopicMass	429.989004
CLogP	3.6545
CLogS	-5.502
H Acceptors	7
H Donors	2
TotalSurfaceArea	304.87
Relative PSA	0.26946
PolarSurfaceArea	97.22
Druglikeness	4.2452
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.7037
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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