bis(N-phenylanilino) (E)-hex-3-enebis(dithioate)

Formula:C30H26N2S4 Mutagenic:none Tumorigenic:none Reproductive Effective:none bis(N-phenylanilino) (E)-hex-3-enebis(dithioate) is not a drug-like molecule.

MolName	bis(N-phenylanilino) (E)-hex-3-enebis(dithioate)
MolecularFormula	C30H26N2S4
Smiles	S=C(C/C=C/CC(SN(c1ccccc1)c1ccccc1)=S)SN(c1ccccc1)c1ccccc1
InChI	InChI=1S/C30H26N2S4/c33-29(35-31(25-15-5-1-6-16-25)26-17-7-2-8-18-26)23-13-14-24-30(34)36-32(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-22H,23-24H2
InChIK	MLOYPVXSUDAVGI-UHFFFAOYSA-N
TotalMolweight	542.814
Molweight	542.814
MonoisotopicMass	542.097878
CLogP	7.2074
CLogS	-6.564
H Acceptors	2
TotalSurfaceArea	427.56
Relative PSA	0.22939
PolarSurfaceArea	121.26
Druglikeness	-1.0216
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	12
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	6
Symmetricatoms	26
StereoCon

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