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

Formula:C16H13N5O3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[2-[(Z)-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(Z)-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic acid
MolecularFormula	C16H13N5O3S
Smiles	OC(COc1c(/C=N\N(C(c2cnccc2)=NN2)C2=S)cccc1)=O
InChI	InChI=1S/C16H13N5O3S/c22-14(23)10-24-13-6-2-1-4-11(13)9-18-21-15(19-20-16(21)25)12-5-3-7-17-8-12/h1-9H,10H2,(H,20,25)(H,22,23)
InChIK	OVWYEDLENAASJY-UHFFFAOYSA-N
TotalMolweight	355.377
Molweight	355.377
MonoisotopicMass	355.07391
CLogP	1.3541
CLogS	-3.449
H Acceptors	8
H Donors	2
TotalSurfaceArea	268.34
Relative PSA	0.42163
PolarSurfaceArea	131.5
Druglikeness	3.5718
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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