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

C13H15N4O3Cl N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]piperidine-4-carboxamide | Chemryt

N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]piperidine-4-carboxamide

Molecular Formula : C13H15N4O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]piperidine-4-carboxamide

MolecularFormula : C13H15N4O3Cl

Smiles : [O-][N+](c(cc1)cc(/C=N\NC(C2CCNCC2)=O)c1Cl)=O

InChI : InChI=1S/C13H15ClN4O3/c14-12-2-1-11(18(20)21)7-10(12)8-16-17-13(19)9-3-5-15-6-4-9/h1-2,7-9,15H,3-6H2,(H,17,19)

InChIK : GGVWZDVNAFJIPE-UHFFFAOYSA-N

TotalMolweight : 310.74

Molweight : 310.74

MonoisotopicMass : 310.083268

CLogP : -0.5846

CLogS : -4.048

H Acceptors : 7

H Donors : 2

TotalSurfaceArea : 231.82

Relative PSA : 0.33599

PolarSurfaceArea : 99.31

Druglikeness : 0.45712

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.61905

Fragments : 1

Non HAtoms : 21

NonCHAtoms : 8

Electronegative Atoms : 8

Rotatable Bond : 4

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 7

Symmetricatoms : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

AcidicOxygens : 1

Request More Details | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]piperidine-4-carboxamide


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