Chemryt - We contribute to the Chemicals, Pharmaceutical & Biotech industry using information technology

C21H14N2O5BrCl | Cheminformatics
Menu

[4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Molecular Formula : C21H14N2O5BrCl | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |
[4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName : [4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

MolecularFormula : C21H14N2O5BrCl

Smiles : Oc(cc1)cc(O)c1C(N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O)=O

InChI : InChI=1S/C21H14BrClN2O5/c22-14-3-8-19(30-21(29)12-1-4-15(23)5-2-12)13(9-14)11-24-25-20(28)17-7-6-16(26)10-18(17)27/h1-11,26-27H,(H,25,28)

InChIK : OMBPLAAUEVONCG-UHFFFAOYSA-N

TotalMolweight : 489.708

Molweight : 489.708

MonoisotopicMass : 487.977461

CLogP : 5.2719

CLogS : -6.169

H Acceptors : 7

H Donors : 3

TotalSurfaceArea : 321.25

Relative PSA : 0.26537

PolarSurfaceArea : 108.22

Druglikeness : 2.2544

Mutagenic : high

Tumorigenic : none

Reproductive Effective : none

Irritant : low

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

Shape Index : 0.6

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 9

Electronegative Atoms : 9

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 3

Symmetricatoms : 2

StereoCon :

Click to Load Molecule:
1 - [4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | [4-bromo-2-[(Z)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments