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

C15H9N2O4S | Cheminformatics
Menu

4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate

Molecular Formula : C15H9N2O4S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : high |
4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate is a drug-like molecule.

MolName : 4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate

MolecularFormula : C15H9N2O4S

Smiles : [O-]C(c(cc1)ccc1-c1ccc(/C=C(\C(N2)=O)/NC2=S)o1)=O

InChI : InChI=1S/C15H10N2O4S/c18-13-11(16-15(22)17-13)7-10-5-6-12(21-10)8-1-3-9(4-2-8)14(19)20/h1-7H,(H,19,20)(H2,16,17,18,22)/p-1

InChIK : VSEUBSIOCPHOEN-UHFFFAOYSA-M

TotalMolweight : 313.312

Molweight : 313.312

MonoisotopicMass : 313.028303

CLogP : -0.4232

CLogS : -4.293

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 232.58

Relative PSA : 0.45313

PolarSurfaceArea : 126.49

Druglikeness : 3.33

Mutagenic : high

Tumorigenic : high

Reproductive Effective : high

Irritant : none

Nasty Functions : thio-amide/urea

Shape Index : 0.63636

Fragments : 1

Non HAtoms : 22

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 2

Symmetricatoms : 2

Amides : 1

AcidicOxygens : 1

StereoCon :

Click to Load Molecule:
1 - 4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
2 - 4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | 4-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoate


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