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

C10H8N4O2S | Cheminformatics
Menu

5-[(E)-2-(3-nitrophenyl)ethenyl]-1,3,4-thiadiazol-2-amine

Molecular Formula : C10H8N4O2S | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
5-[(E)-2-(3-nitrophenyl)ethenyl]-1,3,4-thiadiazol-2-amine is a drug-like molecule.

MolName : 5-[(E)-2-(3-nitrophenyl)ethenyl]-1,3,4-thiadiazol-2-amine

MolecularFormula : C10H8N4O2S

Smiles : Nc1nnc(/C=C/c2cc([N+]([O-])=O)ccc2)s1

InChI : InChI=1S/C10H8N4O2S/c11-10-13-12-9(17-10)5-4-7-2-1-3-8(6-7)14(15)16/h1-6H,(H2,11,13)

InChIK : DNNGSBJELCTEJW-UHFFFAOYSA-N

TotalMolweight : 248.266

Molweight : 248.266

MonoisotopicMass : 248.036796

CLogP : 1.1107

CLogS : -3.495

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 185.17

Relative PSA : 0.47518

PolarSurfaceArea : 125.86

Druglikeness : -3.0987

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro

Shape Index : 0.64706

Fragments : 1

Non HAtoms : 17

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 3

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 1

Aromatic Nitrogens : 2

AcidicOxygens : 1

StereoCon :

Click to Load Molecule:
1 - 5-[(E)-2-(3-nitrophenyl)ethenyl]-1,3,4-thiadiazol-2-amine
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | 5-[(E)-2-(3-nitrophenyl)ethenyl]-1,3,4-thiadiazol-2-amine


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