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

C24H26N3 | Cheminformatics
Menu

(Z,E)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine

Molecular Formula : C24H26N3 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |
(Z,E)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine is a drug-like molecule.

MolName : (Z,E)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine

MolecularFormula : C24H26N3

Smiles : C(c1cccc2ccccc12)[NH+](CC1)CCN1/N=C\C=C\c1ccccc1

InChI : InChI=1S/C24H25N3/c1-2-8-21(9-3-1)10-7-15-25-27-18-16-26(17-19-27)20-23-13-6-12-22-11-4-5-14-24(22)23/h1-15H,16-20H2/p+1

InChIK : GDUPRQHWKMSZPF-UHFFFAOYSA-O

TotalMolweight : 356.491

Molweight : 356.491

MonoisotopicMass : 356.212672

CLogP : 2.122

CLogS : -4.554

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 308.82

Relative PSA : 0.10573

PolarSurfaceArea : 20.04

Druglikeness : 3.7968

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 5

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

Click to Load Molecule:
1 - (Z,E)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine
2 - (Z,E)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off

Request More Details | (Z,E)-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]-3-phenylprop-2-en-1-imine


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