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MolName : (E)-N-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-oxadiazol-2-yl]-3-(3-nitrophenyl)prop-2-enamide

MolecularFormula : C19H14N4O6

Smiles : [O-][N+](c1cc(/C=C/C(Nc2nnc(-c(cc3)cc4c3OCCO4)o2)=O)ccc1)=O

InChI : InChI=1S/C19H14N4O6/c24-17(7-4-12-2-1-3-14(10-12)23(25)26)20-19-22-21-18(29-19)13-5-6-15-16(11-13)28-9-8-27-15/h1-7,10-11H,8-9H2,(H,20,22,24)

InChIK : ACZYPRMUQVMXFK-UHFFFAOYSA-N

TotalMolweight : 394.342

Molweight : 394.342

MonoisotopicMass : 394.091336

CLogP : 2.3881

CLogS : -6.14

H Acceptors : 10

H Donors : 1

TotalSurfaceArea : 293.39

Relative PSA : 0.37823

PolarSurfaceArea : 132.3

Druglikeness : -11.217

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.62069

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 5

Amides : 1

Aromatic Nitrogens : 2

AcidicOxygens : 1

StereoCon :