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

MolecularFormula : C28H17N2O5Cl2F

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

InChI : InChI=1S/C28H17Cl2FN2O5/c29-21-8-1-18(2-9-21)27(35)37-24-14-7-20(16-32-33-26(34)17-5-12-23(31)13-6-17)25(15-24)38-28(36)19-3-10-22(30)11-4-19/h1-16H,(H,33,34)

InChIK : ZRMLDLIBOGWZLM-UHFFFAOYSA-N

TotalMolweight : 551.356

Molweight : 551.356

MonoisotopicMass : 550.049855

CLogP : 7.3754

CLogS : -8.447

H Acceptors : 7

H Donors : 1

TotalSurfaceArea : 399.2

Relative PSA : 0.20564

PolarSurfaceArea : 94.06

Druglikeness : 2.7016

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.52632

Fragments : 1

Non HAtoms : 38

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 9

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 4

Aromatic Atoms : 24

Sp3Atoms : 2

Symmetricatoms : 6

StereoCon :