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MolName : [3-(4-chlorobenzoyl)oxy-4-[(Z)-[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

MolecularFormula : C30H20N3O6Cl2F

Smiles : O=C(CNC(c(cc1)ccc1F)=O)N/N=C\c(ccc(OC(c(cc1)ccc1Cl)=O)c1)c1OC(c(cc1)ccc1Cl)=O

InChI : InChI=1S/C30H20Cl2FN3O6/c31-22-8-1-19(2-9-22)29(39)41-25-14-7-21(26(15-25)42-30(40)20-3-10-23(32)11-4-20)16-35-36-27(37)17-34-28(38)18-5-12-24(33)13-6-18/h1-16H,17H2,(H,34,38)(H,36,37)

InChIK : FGDDNVYJVUUPFE-UHFFFAOYSA-N

TotalMolweight : 608.408

Molweight : 608.408

MonoisotopicMass : 607.071319

CLogP : 6.4591

CLogS : -8.214

H Acceptors : 9

H Donors : 2

TotalSurfaceArea : 442.17

Relative PSA : 0.24106

PolarSurfaceArea : 123.16

Druglikeness : 3.7616

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.54762

Fragments : 1

Non HAtoms : 42

NonCHAtoms : 12

Electronegative Atoms : 12

Rotatable Bond : 11

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 24

Sp3Atoms : 3

Symmetricatoms : 6

Amides : 1

StereoCon :