(2E,4E)-5-[2-(4-chlorophenyl)tetrazol-5-yl]penta-2,4-dienenitrile

Formula:C12H8N5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,4E)-5-[2-(4-chlorophenyl)tetrazol-5-yl]penta-2,4-dienenitrile is a drug-like molecule.

MolName	(2E,4E)-5-[2-(4-chlorophenyl)tetrazol-5-yl]penta-2,4-dienenitrile
MolecularFormula	C12H8N5Cl
Smiles	N#C/C=C/C=C/c1nn(-c(cc2)ccc2Cl)nn1
InChI	InChI=1S/C12H8ClN5/c13-10-5-7-11(8-6-10)18-16-12(15-17-18)4-2-1-3-9-14/h1-8H
InChIK	RXAKMIJZLPSSFD-UHFFFAOYSA-N
TotalMolweight	257.684
Molweight	257.684
MonoisotopicMass	257.046822
CLogP	2.469
CLogS	-3.104
H Acceptors	5
TotalSurfaceArea	208.63
Relative PSA	0.25567
PolarSurfaceArea	67.39
Druglikeness	-6.6341
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.77778
Fragments	1
Non HAtoms	18
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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