2-[(E)-4-(2-aminophenyl)sulfanylbut-2-enyl]sulfanylaniline

Formula:C16H18N2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-4-(2-aminophenyl)sulfanylbut-2-enyl]sulfanylaniline is a drug-like molecule.

MolName	2-[(E)-4-(2-aminophenyl)sulfanylbut-2-enyl]sulfanylaniline
MolecularFormula	C16H18N2S2
Smiles	Nc(cccc1)c1SC/C=C/CSc(cccc1)c1N
InChI	InChI=1S/C16H18N2S2/c17-13-7-1-3-9-15(13)19-11-5-6-12-20-16-10-4-2-8-14(16)18/h1-10H,11-12,17-18H2
InChIK	UCNFATXJXCQPNN-UHFFFAOYSA-N
TotalMolweight	302.465
Molweight	302.465
MonoisotopicMass	302.091138
CLogP	3.5924
CLogS	-4.872
H Acceptors	2
H Donors	2
TotalSurfaceArea	239.06
Relative PSA	0.27407
PolarSurfaceArea	102.64
Druglikeness	-0.60947
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	10
Amines	2
Aromatic Amines	2
StereoCon

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