6-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]hexanoic acid

Formula:C15H18N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]hexanoic acid is a drug-like molecule.

MolName	6-[[(E)-3-(2-nitrophenyl)prop-2-enoyl]amino]hexanoic acid
MolecularFormula	C15H18N2O5
Smiles	[O-][N+](c1c(/C=C/C(NCCCCCC(O)=O)=O)cccc1)=O
InChI	InChI=1S/C15H18N2O5/c18-14(16-11-5-1-2-8-15(19)20)10-9-12-6-3-4-7-13(12)17(21)22/h3-4,6-7,9-10H,1-2,5,8,11H2,(H,16,18)(H,19,20)
InChIK	XYGSKKBOKFOMQD-UHFFFAOYSA-N
TotalMolweight	306.317
Molweight	306.317
MonoisotopicMass	306.121573
CLogP	1.4536
CLogS	-3.306
H Acceptors	7
H Donors	2
TotalSurfaceArea	245.54
Relative PSA	0.33013
PolarSurfaceArea	112.22
Druglikeness	-15.642
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	9
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Amides	1
AcidicOxygens	2
StereoCon

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