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

Formula:C17H13N4O3ClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[2-[(Z)-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(Z)-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenoxy]acetic acid
MolecularFormula	C17H13N4O3ClS
Smiles	OC(COc1c(/C=N\N(C(c(cc2)ccc2Cl)=NN2)C2=S)cccc1)=O
InChI	InChI=1S/C17H13ClN4O3S/c18-13-7-5-11(6-8-13)16-20-21-17(26)22(16)19-9-12-3-1-2-4-14(12)25-10-15(23)24/h1-9H,10H2,(H,21,26)(H,23,24)
InChIK	KYEWRHUETZADAF-UHFFFAOYSA-N
TotalMolweight	388.834
Molweight	388.834
MonoisotopicMass	388.039688
CLogP	2.961
CLogS	-4.98
H Acceptors	7
H Donors	2
TotalSurfaceArea	285
Relative PSA	0.35849
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	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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