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MolName : (5E)-6-(4-chlorophenyl)-6-cyano-5-[(2-cyanoacetyl)hydrazinylidene]-N-(2,4-dichlorophenyl)hexanamide

MolecularFormula : C22H18N5O2Cl3

Smiles : N#CCC(N/N=C(\CCCC(Nc(ccc(Cl)c1)c1Cl)=O)/C(c(cc1)ccc1Cl)C#N)=O

InChI : InChI=1S/C22H18Cl3N5O2/c23-15-6-4-14(5-7-15)17(13-27)19(29-30-22(32)10-11-26)2-1-3-21(31)28-20-9-8-16(24)12-18(20)25/h4-9,12,17H,1-3,10H2,(H,28,31)(H,30,32)/t17-/m1/s1

InChIK : RCKPEZFBFUIKFG-QGZVFWFLSA-N

TotalMolweight : 490.777

Molweight : 490.777

MonoisotopicMass : 489.052606

CLogP : 4.9258

CLogS : -7.578

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 371.63

Relative PSA : 0.2358

PolarSurfaceArea : 118.14

Druglikeness : -7.2652

Mutagenic : none

Tumorigenic : none

Reproductive Effective : high

Irritant : low

Nasty Functions : acyl-hydrazone

Shape Index : 0.53125

Fragments : 1

Non HAtoms : 32

NonCHAtoms : 10

Electronegative Atoms : 10

StereoCenters : 1

Rotatable Bond : 9

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 5

Symmetricatoms : 2

Amides : 1

StereoCon : racemate