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

Formula:C17H20N4O3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-[2-[(Z)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[2-[(Z)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenoxy]acetic acid
MolecularFormula	C17H20N4O3S
Smiles	OC(COc1c(/C=N\N(C(C2CCCCC2)=NN2)C2=S)cccc1)=O
InChI	InChI=1S/C17H20N4O3S/c22-15(23)11-24-14-9-5-4-8-13(14)10-18-21-16(19-20-17(21)25)12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,20,25)(H,22,23)
InChIK	ZPAMCJBQBJYJMO-UHFFFAOYSA-N
TotalMolweight	360.437
Molweight	360.437
MonoisotopicMass	360.125611
CLogP	2.2806
CLogS	-4.4
H Acceptors	7
H Donors	2
TotalSurfaceArea	277.62
Relative PSA	0.36802
PolarSurfaceArea	118.61
Druglikeness	-1.1522
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	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	10
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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