(2E)-2-[(E)-2,3-dichloro-1-nitro-3-piperidin-1-ylprop-2-enylidene]-3H-1,3-benzoxazole

Formula:C15H15N3O3Cl2 Mutagenic:low Tumorigenic:low Reproductive Effective:none (2E)-2-[(E)-2,3-dichloro-1-nitro-3-piperidin-1-ylprop-2-enylidene]-3H-1,3-benzoxazole is a drug-like molecule.

MolName	(2E)-2-[(E)-2,3-dichloro-1-nitro-3-piperidin-1-ylprop-2-enylidene]-3H-1,3-benzoxazole
MolecularFormula	C15H15N3O3Cl2
Smiles	[O-][N+](/C(/C(/Cl)=C(/N1CCCCC1)\Cl)=C1/Oc(cccc2)c2N1)=O
InChI	InChI=1S/C15H15Cl2N3O3/c16-12(14(17)19-8-4-1-5-9-19)13(20(21)22)15-18-10-6-2-3-7-11(10)23-15/h2-3,6-7,18H,1,4-5,8-9H2
InChIK	BOMKNQNLQSDPNZ-UHFFFAOYSA-N
TotalMolweight	356.208
Molweight	356.208
MonoisotopicMass	355.049046
CLogP	2.7628
CLogS	-6.211
H Acceptors	6
H Donors	1
TotalSurfaceArea	247.17
Relative PSA	0.22426
PolarSurfaceArea	70.32
Druglikeness	-4.4785
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	allyl/benzyl chloride; 1,2-dihalo-alkene
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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