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C20H21N3O7 | Cheminformatics
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6-[[(Z)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]hexanoic acid

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

MolName : 6-[[(Z)-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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