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

Formula:C22H23N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]hexanoic acid is a drug-like molecule.

MolName	6-[[(E)-2-benzamido-3-(3-nitrophenyl)prop-2-enoyl]amino]hexanoic acid
MolecularFormula	C22H23N3O6
Smiles	[O-][N+](c1cc(/C=C(\C(NCCCCCC(O)=O)=O)/NC(c2ccccc2)=O)ccc1)=O
InChI	InChI=1S/C22H23N3O6/c26-20(27)12-5-2-6-13-23-22(29)19(24-21(28)17-9-3-1-4-10-17)15-16-8-7-11-18(14-16)25(30)31/h1,3-4,7-11,14-15H,2,5-6,12-13H2,(H,23,29)(H,24,28)(H,26,27)
InChIK	GETMQRWUSJLDSL-UHFFFAOYSA-N
TotalMolweight	425.44
Molweight	425.44
MonoisotopicMass	425.158687
CLogP	2.7411
CLogS	-4.681
H Acceptors	9
H Donors	3
TotalSurfaceArea	332.72
Relative PSA	0.31726
PolarSurfaceArea	141.32
Druglikeness	-12.548
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	11
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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