3-(2-chlorophenyl)-4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione

Formula:C19H20N5OClS Mutagenic:high Tumorigenic:none Reproductive Effective:high 3-(2-chlorophenyl)-4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	3-(2-chlorophenyl)-4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
MolecularFormula	C19H20N5OClS
Smiles	CCN(CC)c1cc(O)c(C=NN(C(c(cccc2)c2Cl)=NN2)C2=S)cc1
InChI	InChI=1S/C19H20ClN5OS/c1-3-24(4-2)14-10-9-13(17(26)11-14)12-21-25-18(22-23-19(25)27)15-7-5-6-8-16(15)20/h5-12,26H,3-4H2,1-2H3,(H,23,27)
InChIK	GBCQXDYDTICGJH-UHFFFAOYSA-N
TotalMolweight	401.921
Molweight	401.921
MonoisotopicMass	401.107707
CLogP	4.2643
CLogS	-5.527
H Acceptors	6
H Donors	2
TotalSurfaceArea	305.83
Relative PSA	0.27035
PolarSurfaceArea	95.55
Druglikeness	4.937
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	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
Amines	1
Aromatic Amines	1
StereoCon

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