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

C13H10N2O2BrClS | Cheminformatics
Menu

(3Z)-1-(4-bromophenyl)-3-[(2-chloro-1,3-thiazol-5-yl)methoxyimino]propan-1-one

Molecular Formula : C13H10N2O2BrClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
(3Z)-1-(4-bromophenyl)-3-[(2-chloro-1,3-thiazol-5-yl)methoxyimino]propan-1-one is a drug-like molecule.

MolName : (3Z)-1-(4-bromophenyl)-3-[(2-chloro-1,3-thiazol-5-yl)methoxyimino]propan-1-one

MolecularFormula : C13H10N2O2BrClS

Smiles : O=C(C/C=N\OCc(s1)cnc1Cl)c(cc1)ccc1Br

InChI : InChI=1S/C13H10BrClN2O2S/c14-10-3-1-9(2-4-10)12(18)5-6-17-19-8-11-7-16-13(15)20-11/h1-4,6-7H,5,8H2

InChIK : OBUPXHRXAIZYQU-UHFFFAOYSA-N

TotalMolweight : 373.657

Molweight : 373.657

MonoisotopicMass : 371.933486

CLogP : 3.8272

CLogS : -5.262

H Acceptors : 4

TotalSurfaceArea : 241.8

Relative PSA : 0.27246

PolarSurfaceArea : 79.79

Druglikeness : 0.81674

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.75

Fragments : 1

Non HAtoms : 20

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 6

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 11

Sp3Atoms : 3

Symmetricatoms : 2

Aromatic Nitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (3Z)-1-(4-bromophenyl)-3-[(2-chloro-1,3-thiazol-5-yl)methoxyimino]propan-1-one
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (3Z)-1-(4-bromophenyl)-3-[(2-chloro-1,3-thiazol-5-yl)methoxyimino]propan-1-one


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