3-(4-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole

Formula:C22H18N3OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole is not a drug-like molecule.

MolName	3-(4-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
MolecularFormula	C22H18N3OClS
Smiles	Clc(cc1)ccc1-c(n1Cc2ccco2)nnc1SC/C=C/c1ccccc1
InChI	InChI=1S/C22H18ClN3OS/c23-19-12-10-18(11-13-19)21-24-25-22(26(21)16-20-9-4-14-27-20)28-15-5-8-17-6-2-1-3-7-17/h1-14H,15-16H2
InChIK	VQDWRDJIGFHTGO-UHFFFAOYSA-N
TotalMolweight	407.924
Molweight	407.924
MonoisotopicMass	407.085909
CLogP	5.3468
CLogS	-5.971
H Acceptors	4
TotalSurfaceArea	315.88
Relative PSA	0.19124
PolarSurfaceArea	69.15
Druglikeness	3.2304
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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1 - 3-(4-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole | 2 - 3-(4-chlorophenyl)-4-(furan-2-ylmethyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole

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