4-[(1E,3E)-4-[2-(4-chlorophenyl)tetrazol-5-yl]buta-1,3-dienyl]morpholine

Formula:C15H16N5OCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(1E,3E)-4-[2-(4-chlorophenyl)tetrazol-5-yl]buta-1,3-dienyl]morpholine is a drug-like molecule.

MolName	4-[(1E,3E)-4-[2-(4-chlorophenyl)tetrazol-5-yl]buta-1,3-dienyl]morpholine
MolecularFormula	C15H16N5OCl
Smiles	Clc(cc1)ccc1-n1nnc(/C=C/C=C/N2CCOCC2)n1
InChI	InChI=1S/C15H16ClN5O/c16-13-4-6-14(7-5-13)21-18-15(17-19-21)3-1-2-8-20-9-11-22-12-10-20/h1-8H,9-12H2
InChIK	LQTHAQBEHXSDRZ-UHFFFAOYSA-N
TotalMolweight	317.779
Molweight	317.779
MonoisotopicMass	317.104337
CLogP	2.0373
CLogS	-2.328
H Acceptors	6
TotalSurfaceArea	248.76
Relative PSA	0.21438
PolarSurfaceArea	56.07
Druglikeness	-1.2376
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	4
Aromatic Nitrogens	4
BasicNitrogens	1
StereoCon

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