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C17H11N4O4Cl | Cheminformatics

(E)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide

Molecular Formula : C17H11N4O4Cl | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |

MolName : (E)-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide

MolecularFormula : C17H11N4O4Cl

Smiles : [O-][N+](c1cccc(/C=C/C(Nc2nnc(-c(cc3)ccc3Cl)o2)=O)c1)=O

InChI : InChI=1S/C17H11ClN4O4/c18-13-7-5-12(6-8-13)16-20-21-17(26-16)19-15(23)9-4-11-2-1-3-14(10-11)22(24)25/h1-10H,(H,19,21,23)

InChIK : YWQXMGWWSUVOST-UHFFFAOYSA-N

TotalMolweight : 370.751

Molweight : 370.751

MonoisotopicMass : 370.046883

CLogP : 3.0153

CLogS : -6.694

H Acceptors : 8

H Donors : 1

TotalSurfaceArea : 274.79

Relative PSA : 0.33105

PolarSurfaceArea : 113.84

Druglikeness : -4.1176

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.65385

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 1

Symmetricatoms : 2

Amides : 1

Aromatic Nitrogens : 2

AcidicOxygens : 1

StereoCon :

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