(E)-2-(5-amino-1,3,4-thiadiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile

Formula:C11H6N4Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-2-(5-amino-1,3,4-thiadiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(5-amino-1,3,4-thiadiazol-2-yl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
MolecularFormula	C11H6N4Cl2S
Smiles	Nc1nnc(/C(/C#N)=C/c(ccc(Cl)c2)c2Cl)s1
InChI	InChI=1S/C11H6Cl2N4S/c12-8-2-1-6(9(13)4-8)3-7(5-14)10-16-17-11(15)18-10/h1-4H,(H2,15,17)
InChIK	OUPMOQLCUDKXJJ-UHFFFAOYSA-N
TotalMolweight	297.169
Molweight	297.169
MonoisotopicMass	295.96902
CLogP	2.7103
CLogS	-4.384
H Acceptors	4
H Donors	1
TotalSurfaceArea	212.26
Relative PSA	0.33511
PolarSurfaceArea	103.83
Druglikeness	-1.8457
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Aromatic Nitrogens	2
StereoCon

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