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

Formula:C17H15N4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-(4-chlorophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine is a drug-like molecule.

MolName	3-(4-chlorophenyl)-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-4-amine
MolecularFormula	C17H15N4ClS
Smiles	Nn1c(SC/C=C/c2ccccc2)nnc1-c(cc1)ccc1Cl
InChI	InChI=1S/C17H15ClN4S/c18-15-10-8-14(9-11-15)16-20-21-17(22(16)19)23-12-4-7-13-5-2-1-3-6-13/h1-11H,12,19H2
InChIK	PJWNWKCEAVLPQI-UHFFFAOYSA-N
TotalMolweight	342.853
Molweight	342.853
MonoisotopicMass	342.070593
CLogP	4.6903
CLogS	-8.22
H Acceptors	4
H Donors	1
TotalSurfaceArea	261.19
Relative PSA	0.23573
PolarSurfaceArea	82.03
Druglikeness	0.23226
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	3
StereoCon

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