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C16H15N3O6 | Cheminformatics
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N-[(E)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

Molecular Formula : C16H15N3O6 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(E)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide is a drug-like molecule.

MolName : N-[(E)-3-(2-hydroxyethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide

MolecularFormula : C16H15N3O6

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

InChI : InChI=1S/C16H15N3O6/c20-7-6-17-15(21)13(18-16(22)14-5-2-8-25-14)10-11-3-1-4-12(9-11)19(23)24/h1-5,8-10,20H,6-7H2,(H,17,21)(H,18,22)

InChIK : YOVFQAQXVIEJOL-UHFFFAOYSA-N

TotalMolweight : 345.31

Molweight : 345.31

MonoisotopicMass : 345.096087

CLogP : 0.4618

CLogS : -3.301

H Acceptors : 9

H Donors : 3

TotalSurfaceArea : 263.38

Relative PSA : 0.40485

PolarSurfaceArea : 137.39

Druglikeness : -1.592

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.48

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 7

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 4

Amides : 2

AcidicOxygens : 1

StereoCon :

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