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

Formula:C23H17N3Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole is not a drug-like molecule.

MolName	3-(2-chlorophenyl)-4-(4-chlorophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
MolecularFormula	C23H17N3Cl2S
Smiles	Clc(cc1)ccc1-n1c(SC/C=C/c2ccccc2)nnc1-c(cccc1)c1Cl
InChI	InChI=1S/C23H17Cl2N3S/c24-18-12-14-19(15-13-18)28-22(20-10-4-5-11-21(20)25)26-27-23(28)29-16-6-9-17-7-2-1-3-8-17/h1-15H,16H2
InChIK	OBYPBJJWFLTBMX-UHFFFAOYSA-N
TotalMolweight	438.381
Molweight	438.381
MonoisotopicMass	437.052021
CLogP	6.7362
CLogS	-9.861
H Acceptors	3
TotalSurfaceArea	327.85
Relative PSA	0.14122
PolarSurfaceArea	56.01
Druglikeness	2.3053
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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

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