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C21H13N4O4Cl | Cheminformatics
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(E)-N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

Molecular Formula : C21H13N4O4Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(E)-N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName : (E)-N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(3-nitrophenyl)prop-2-enamide

MolecularFormula : C21H13N4O4Cl

Smiles : [O-][N+](c1cccc(/C=C/C(Nc(cc2)cc(-c3nc(nccc4)c4o3)c2Cl)=O)c1)=O

InChI : InChI=1S/C21H13ClN4O4/c22-17-8-7-14(12-16(17)21-25-20-18(30-21)5-2-10-23-20)24-19(27)9-6-13-3-1-4-15(11-13)26(28)29/h1-12H,(H,24,27)

InChIK : JYXIAMJEIQMMMF-UHFFFAOYSA-N

TotalMolweight : 420.811

Molweight : 420.811

MonoisotopicMass : 420.062533

CLogP : 3.7575

CLogS : -7.734

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 309.39

Relative PSA : 0.29403

PolarSurfaceArea : 113.84

Druglikeness : -5.0825

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.56667

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 21

Sp3Atoms : 1

Amides : 1

Aromatic Nitrogens : 2

AcidicOxygens : 1

StereoCon :

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