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

C9H11N2OCl HCl | Cheminformatics
Menu

N-(2-aminoethyl)-4-chlorobenzamide;hydrochloride

Molecular Formula : C9H11N2OCl.HCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-(2-aminoethyl)-4-chlorobenzamide;hydrochloride is a drug-like molecule.

MolName : N-(2-aminoethyl)-4-chlorobenzamide;hydrochloride

MolecularFormula : C9H11N2OCl.HCl

Smiles : NCCNC(c(cc1)ccc1Cl)=O.Cl

InChI : InChI=1S/C9H11ClN2O.ClH/c10-8-3-1-7(2-4-8)9(13)12-6-5-11;/h1-4H,5-6,11H2,(H,12,13);1H

InChIK : ARUMZUNJBHSOQQ-UHFFFAOYSA-N

TotalMolweight : 235.113

Molweight : 198.652

MonoisotopicMass : 198.05599

CLogP : 0.7862

CLogS : -2.226

H Acceptors : 3

H Donors : 2

TotalSurfaceArea : 153.93

Relative PSA : 0.25836

PolarSurfaceArea : 55.12

Druglikeness : -1.3979

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.76923

Fragments : 2

Non HAtoms : 13

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 3

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 3

Symmetricatoms : 2

Amides : 1

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

Click to Load Molecule:
1 - N-(2-aminoethyl)-4-chlorobenzamide;hydrochloride
2 - N-(2-aminoethyl)-4-chlorobenzamide;hydrochloride
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | N-(2-aminoethyl)-4-chlorobenzamide;hydrochloride


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