17-[(E)-2-nitroethenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene

Formula:C16H21NO7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 17-[(E)-2-nitroethenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene is a drug-like molecule.

MolName	17-[(E)-2-nitroethenyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
MolecularFormula	C16H21NO7
Smiles	[O-][N+](/C=C/c(cc1)cc2c1OCCOCCOCCOCCO2)=O
InChI	InChI=1S/C16H21NO7/c18-17(19)4-3-14-1-2-15-16(13-14)24-12-10-22-8-6-20-5-7-21-9-11-23-15/h1-4,13H,5-12H2
InChIK	CEQCVERGWPQNEF-UHFFFAOYSA-N
TotalMolweight	339.343
Molweight	339.343
MonoisotopicMass	339.131804
CLogP	0.1877
CLogS	-2.571
H Acceptors	8
TotalSurfaceArea	270.01
Relative PSA	0.29784
PolarSurfaceArea	91.97
Druglikeness	-18.372
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Rings Closures	2
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	14
AcidicOxygens	1
StereoCon

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