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

Formula:C11H12N4S Mutagenic:none Tumorigenic:none Reproductive Effective:low 3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazol-5-amine is a drug-like molecule.

MolName	3-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazol-5-amine
MolecularFormula	C11H12N4S
Smiles	Nc1nc(SC/C=C/c2ccccc2)n[nH]1
InChI	InChI=1S/C11H12N4S/c12-10-13-11(15-14-10)16-8-4-7-9-5-2-1-3-6-9/h1-7H,8H2,(H3,12,13,14,15)
InChIK	YXKLHKQHGCKSOQ-UHFFFAOYSA-N
TotalMolweight	232.31
Molweight	232.31
MonoisotopicMass	232.078266
CLogP	2.111
CLogS	-3.302
H Acceptors	4
H Donors	2
TotalSurfaceArea	186.38
Relative PSA	0.36855
PolarSurfaceArea	92.89
Druglikeness	1.741
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.75
Fragments	1
Non HAtoms	16
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
BasicNitrogens	1
StereoCon

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