4-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

Formula:C18H15N4OClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione
MolecularFormula	C18H15N4OClS
Smiles	S=C(NN=C1COc2ccccc2)N1N=C/C(/Cl)=C/c1ccccc1
InChI	InChI=1S/C18H15ClN4OS/c19-15(11-14-7-3-1-4-8-14)12-20-23-17(21-22-18(23)25)13-24-16-9-5-2-6-10-16/h1-12H,13H2,(H,22,25)
InChIK	BETBXBZZWDBHFR-UHFFFAOYSA-N
TotalMolweight	370.863
Molweight	370.863
MonoisotopicMass	370.065508
CLogP	3.3751
CLogS	-5.214
H Acceptors	5
H Donors	1
TotalSurfaceArea	285.61
Relative PSA	0.2662
PolarSurfaceArea	81.31
Druglikeness	3.6255
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
StereoCon

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