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C17H15N3O7 | Cheminformatics
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3-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid

Molecular Formula : C17H15N3O7 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
3-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid is a drug-like molecule.

MolName : 3-[[(E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid

MolecularFormula : C17H15N3O7

Smiles : [O-][N+](c1cc(/C=C(\C(NCCC(O)=O)=O)/NC(c2ccco2)=O)ccc1)=O

InChI : InChI=1S/C17H15N3O7/c21-15(22)6-7-18-16(23)13(19-17(24)14-5-2-8-27-14)10-11-3-1-4-12(9-11)20(25)26/h1-5,8-10H,6-7H2,(H,18,23)(H,19,24)(H,21,22)

InChIK : YENWHBXQSZDNOE-UHFFFAOYSA-N

TotalMolweight : 373.32

Molweight : 373.32

MonoisotopicMass : 373.091002

CLogP : 0.5666

CLogS : -3.553

H Acceptors : 10

H Donors : 3

TotalSurfaceArea : 281.13

Relative PSA : 0.42567

PolarSurfaceArea : 154.46

Druglikeness : -1.4189

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.48148

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 8

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 4

Amides : 2

AcidicOxygens : 2

StereoCon :

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