(2S)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-2-phenylacetate

Formula:C17H13N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2S)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-2-phenylacetate is a drug-like molecule.

MolName	(2S)-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]amino]-2-phenylacetate
MolecularFormula	C17H13N2O5
Smiles	[O-]C([C@H](c1ccccc1)NC(/C=C/c1cccc([N+]([O-])=O)c1)=O)=O
InChI	InChI=1S/C17H14N2O5/c20-15(10-9-12-5-4-8-14(11-12)19(23)24)18-16(17(21)22)13-6-2-1-3-7-13/h1-11,16H,(H,18,20)(H,21,22)/p-1/t16-/m0/s1
InChIK	LCIYTCHGMLWPSO-INIZCTEOSA-M
TotalMolweight	325.299
Molweight	325.299
MonoisotopicMass	325.082448
CLogP	-1.1415
CLogS	-3.32
H Acceptors	7
H Donors	1
TotalSurfaceArea	250.18
Relative PSA	0.32872
PolarSurfaceArea	115.05
Druglikeness	-3.4465
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon	this enantiomer

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