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

Formula:C23H18N3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-chlorophenyl)-4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole is not a drug-like molecule.

MolName	3-(4-chlorophenyl)-4-phenyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazole
MolecularFormula	C23H18N3ClS
Smiles	Clc(cc1)ccc1-c(n1-c2ccccc2)nnc1SC/C=C/c1ccccc1
InChI	InChI=1S/C23H18ClN3S/c24-20-15-13-19(14-16-20)22-25-26-23(27(22)21-11-5-2-6-12-21)28-17-7-10-18-8-3-1-4-9-18/h1-16H,17H2
InChIK	VRXOWMKQPQZWEW-UHFFFAOYSA-N
TotalMolweight	403.936
Molweight	403.936
MonoisotopicMass	403.090994
CLogP	6.1302
CLogS	-9.125
H Acceptors	3
TotalSurfaceArea	312.43
Relative PSA	0.14819
PolarSurfaceArea	56.01
Druglikeness	2.3053
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	2
Symmetricatoms	6
Aromatic Nitrogens	3
StereoCon

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