4-[(Z)-(3-phenoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione

Formula:C21H16N4OS Mutagenic:high Tumorigenic:none Reproductive Effective:high 4-[(Z)-(3-phenoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione is a drug-like molecule.

MolName	4-[(Z)-(3-phenoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazole-5-thione
MolecularFormula	C21H16N4OS
Smiles	S=C(NN=C1c2ccccc2)N1/N=C\c1cc(Oc2ccccc2)ccc1
InChI	InChI=1S/C21H16N4OS/c27-21-24-23-20(17-9-3-1-4-10-17)25(21)22-15-16-8-7-13-19(14-16)26-18-11-5-2-6-12-18/h1-15H,(H,24,27)
InChIK	CHNDRCISMBGTPO-UHFFFAOYSA-N
TotalMolweight	372.451
Molweight	372.451
MonoisotopicMass	372.104481
CLogP	4.6906
CLogS	-6.748
H Acceptors	5
H Donors	1
TotalSurfaceArea	291.48
Relative PSA	0.26084
PolarSurfaceArea	81.31
Druglikeness	3.4275
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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