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C20H19N3O5 | Cheminformatics

(E)-N-[2-(morpholine-4-carbonyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide

Molecular Formula : C20H19N3O5 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-N-[2-(morpholine-4-carbonyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName : (E)-N-[2-(morpholine-4-carbonyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide

MolecularFormula : C20H19N3O5

Smiles : [O-][N+](c1c(/C=C/C(Nc(cccc2)c2C(N2CCOCC2)=O)=O)cccc1)=O

InChI : InChI=1S/C20H19N3O5/c24-19(10-9-15-5-1-4-8-18(15)23(26)27)21-17-7-3-2-6-16(17)20(25)22-11-13-28-14-12-22/h1-10H,11-14H2,(H,21,24)

InChIK : AUYFYRXXUYTZLN-UHFFFAOYSA-N

TotalMolweight : 381.387

Molweight : 381.387

MonoisotopicMass : 381.132472

CLogP : 1.889

CLogS : -3.668

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 291.99

Relative PSA : 0.27915

PolarSurfaceArea : 104.46

Druglikeness : -3.097

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.53571

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 2

AcidicOxygens : 1

StereoCon :

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