(5Z)-2-sulfanylidene-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazolidin-4-one

Formula:C12H9N5OS Mutagenic:high Tumorigenic:low Reproductive Effective:high (5Z)-2-sulfanylidene-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazolidin-4-one is a drug-like molecule.

MolName	(5Z)-2-sulfanylidene-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]imidazolidin-4-one
MolecularFormula	C12H9N5OS
Smiles	O=C(/C(/N1)=C/c(cc2)ccc2-n2ncnc2)NC1=S
InChI	InChI=1S/C12H9N5OS/c18-11-10(15-12(19)16-11)5-8-1-3-9(4-2-8)17-7-13-6-14-17/h1-7H,(H2,15,16,18,19)
InChIK	UGGSTJBTEQQJJC-UHFFFAOYSA-N
TotalMolweight	271.303
Molweight	271.303
MonoisotopicMass	271.05278
CLogP	0.2739
CLogS	-2.932
H Acceptors	6
H Donors	2
TotalSurfaceArea	204.33
Relative PSA	0.45402
PolarSurfaceArea	103.93
Druglikeness	4.4957
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	3
StereoCon

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