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MolName : 2-(4-chloro-2-nitrophenoxy)-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]acetamide

MolecularFormula : C19H13N4O7Cl

Smiles : [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(COc(ccc(Cl)c2)c2[N+]([O-])=O)=O)o1)=O

InChI : InChI=1S/C19H13ClN4O7/c20-13-3-7-18(16(9-13)24(28)29)30-11-19(25)22-21-10-15-6-8-17(31-15)12-1-4-14(5-2-12)23(26)27/h1-10H,11H2,(H,22,25)

InChIK : SCVVAMINXWFADL-UHFFFAOYSA-N

TotalMolweight : 444.786

Molweight : 444.786

MonoisotopicMass : 444.047278

CLogP : 2.4782

CLogS : -6.617

H Acceptors : 11

H Donors : 1

TotalSurfaceArea : 322.96

Relative PSA : 0.37454

PolarSurfaceArea : 155.47

Druglikeness : 1.3799

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : none

Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde

Shape Index : 0.64516

Fragments : 1

Non HAtoms : 31

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 8

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 4

Symmetricatoms : 2

AcidicOxygens : 2

StereoCon :