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

Formula:C21H16N3OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-(4-chlorophenyl)-3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole is not a drug-like molecule.

MolName	4-(4-chlorophenyl)-3-(furan-2-yl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
MolecularFormula	C21H16N3OClS
Smiles	Clc(cc1)ccc1-n1c(SC/C=C/c2ccccc2)nnc1-c1ccco1
InChI	InChI=1S/C21H16ClN3OS/c22-17-10-12-18(13-11-17)25-20(19-9-4-14-26-19)23-24-21(25)27-15-5-8-16-6-2-1-3-7-16/h1-14H,15H2
InChIK	PQVCZXKHSMKPPW-UHFFFAOYSA-N
TotalMolweight	393.897
Molweight	393.897
MonoisotopicMass	393.070259
CLogP	5.3559
CLogS	-8.475
H Acceptors	4
TotalSurfaceArea	302.12
Relative PSA	0.19995
PolarSurfaceArea	69.15
Druglikeness	2.2559
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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