2-[2-[(Z)-[3-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid

Formula:C17H12N4O3Cl2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[2-[(Z)-[3-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(Z)-[3-(2,4-dichlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid
MolecularFormula	C17H12N4O3Cl2S
Smiles	OC(COc1c(/C=N\N(C(c(ccc(Cl)c2)c2Cl)=NN2)C2=S)cccc1)=O
InChI	InChI=1S/C17H12Cl2N4O3S/c18-11-5-6-12(13(19)7-11)16-21-22-17(27)23(16)20-8-10-3-1-2-4-14(10)26-9-15(24)25/h1-8H,9H2,(H,22,27)(H,24,25)
InChIK	OBSFERPPJRRDHN-UHFFFAOYSA-N
TotalMolweight	423.279
Molweight	423.279
MonoisotopicMass	422.000715
CLogP	3.567
CLogS	-5.716
H Acceptors	7
H Donors	2
TotalSurfaceArea	300.42
Relative PSA	0.34009
PolarSurfaceArea	118.61
Druglikeness	3.635
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
AcidicOxygens	1
StereoCon

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