[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Formula:C21H20N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
MolecularFormula	C21H20N2O5
Smiles	[O-][N+](c1cc(/C=C/C(OCC(N[C@H](CCC2)c3c2cccc3)=O)=O)ccc1)=O
InChI	InChI=1S/C21H20N2O5/c24-20(22-19-10-4-7-16-6-1-2-9-18(16)19)14-28-21(25)12-11-15-5-3-8-17(13-15)23(26)27/h1-3,5-6,8-9,11-13,19H,4,7,10,14H2,(H,22,24)/t19-/m1/s1
InChIK	SOHVAFSXRPNLPI-LJQANCHMSA-N
TotalMolweight	380.399
Molweight	380.399
MonoisotopicMass	380.137223
CLogP	2.5101
CLogS	-4.337
H Acceptors	7
H Donors	1
TotalSurfaceArea	294.19
Relative PSA	0.265
PolarSurfaceArea	101.22
Druglikeness	-6.6343
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Amides	1
AcidicOxygens	1
StereoCon	this enantiomer

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1 - [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate | 2 - [2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate

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