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

C20H15N3O3ClI | Cheminformatics
Menu

4-chloro-N-[2-[(2Z)-2-[[5-(4-iodophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]benzamide

Molecular Formula : C20H15N3O3ClI | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |
4-chloro-N-[2-[(2Z)-2-[[5-(4-iodophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]benzamide is not a drug-like molecule.

MolName : 4-chloro-N-[2-[(2Z)-2-[[5-(4-iodophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]benzamide

MolecularFormula : C20H15N3O3ClI

Smiles : O=C(CNC(c(cc1)ccc1Cl)=O)N/N=C\c1ccc(-c(cc2)ccc2I)o1

InChI : InChI=1S/C20H15ClIN3O3/c21-15-5-1-14(2-6-15)20(27)23-12-19(26)25-24-11-17-9-10-18(28-17)13-3-7-16(22)8-4-13/h1-11H,12H2,(H,23,27)(H,25,26)

InChIK : HFVNEKLCTSOPMO-UHFFFAOYSA-N

TotalMolweight : 507.71

Molweight : 507.71

MonoisotopicMass : 506.984667

CLogP : 4.2673

CLogS : -6.7

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 321.11

Relative PSA : 0.23238

PolarSurfaceArea : 83.7

Druglikeness : 7.7198

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.71429

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 3

Aromatic Atoms : 17

Sp3Atoms : 1

Symmetricatoms : 4

Amides : 1

StereoCon :

Click to Load Molecule:
1 - 4-chloro-N-[2-[(2Z)-2-[[5-(4-iodophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
2 - 4-chloro-N-[2-[(2Z)-2-[[5-(4-iodophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]benzamide
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | 4-chloro-N-[2-[(2Z)-2-[[5-(4-iodophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]benzamide


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