(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoic acid

Formula:C13H14N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-(4-morpholin-4-yl-3-nitrophenyl)prop-2-enoic acid
MolecularFormula	C13H14N2O5
Smiles	[O-][N+](c(cc(/C=C/C(O)=O)cc1)c1N1CCOCC1)=O
InChI	InChI=1S/C13H14N2O5/c16-13(17)4-2-10-1-3-11(12(9-10)15(18)19)14-5-7-20-8-6-14/h1-4,9H,5-8H2,(H,16,17)
InChIK	JPHPRPXBTGGJEW-UHFFFAOYSA-N
TotalMolweight	278.263
Molweight	278.263
MonoisotopicMass	278.090273
CLogP	0.2213
CLogS	-2.562
H Acceptors	7
H Donors	1
TotalSurfaceArea	209.37
Relative PSA	0.33486
PolarSurfaceArea	95.59
Druglikeness	-2.8691
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
Amines	1
Aromatic Amines	1
AcidicOxygens	2
StereoCon

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