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MolName : 5-hydroxy-1-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]imidazolidine-2,4-dione

MolecularFormula : C14H10N4O6

Smiles : [O-][N+](c(cc1)ccc1-c1ccc(/C=N\N(C(C(N2)=O)O)C2=O)o1)=O

InChI : InChI=1S/C14H10N4O6/c19-12-13(20)17(14(21)16-12)15-7-10-5-6-11(24-10)8-1-3-9(4-2-8)18(22)23/h1-7,13,20H,(H,16,19,21)/t13-/m0/s1

InChIK : PGORTQZSSAZLCK-ZDUSSCGKSA-N

TotalMolweight : 330.255

Molweight : 330.255

MonoisotopicMass : 330.060036

CLogP : 0.4621

CLogS : -4.087

H Acceptors : 10

H Donors : 2

TotalSurfaceArea : 233.75

Relative PSA : 0.47157

PolarSurfaceArea : 140.96

Druglikeness : 1.7174

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : none

Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde

Shape Index : 0.625

Fragments : 1

Non HAtoms : 24

NonCHAtoms : 10

Electronegative Atoms : 10

StereoCenters : 1

Rotatable Bond : 4

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 3

Symmetricatoms : 2

Amides : 1

AcidicOxygens : 1

StereoCon : racemate