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

Formula:C20H21N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]hexanoic acid is a drug-like molecule.

MolName	6-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]hexanoic acid
MolecularFormula	C20H21N3O7
Smiles	[O-][N+](c1cc(/C=C(\C(NCCCCCC(O)=O)=O)/NC(c2ccco2)=O)ccc1)=O
InChI	InChI=1S/C20H21N3O7/c24-18(25)9-2-1-3-10-21-19(26)16(22-20(27)17-8-5-11-30-17)13-14-6-4-7-15(12-14)23(28)29/h4-8,11-13H,1-3,9-10H2,(H,21,26)(H,22,27)(H,24,25)
InChIK	GCVUFYXILCKPQJ-UHFFFAOYSA-N
TotalMolweight	415.401
Molweight	415.401
MonoisotopicMass	415.137952
CLogP	1.9298
CLogS	-4.363
H Acceptors	10
H Donors	3
TotalSurfaceArea	322.41
Relative PSA	0.37117
PolarSurfaceArea	154.46
Druglikeness	-12.332
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	11
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	7
Amides	2
AcidicOxygens	2
StereoCon

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