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C26H26N3 | Cheminformatics

(Z)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine

Molecular Formula : C26H26N3 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |

MolName : (Z)-1-naphthalen-1-yl-N-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]methanimine

MolecularFormula : C26H26N3

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

InChI : InChI=1S/C26H25N3/c1-3-13-25-21(7-1)9-5-11-23(25)19-27-29-17-15-28(16-18-29)20-24-12-6-10-22-8-2-4-14-26(22)24/h1-14,19H,15-18,20H2/p+1

InChIK : MNVTVMZNVKBHBQ-UHFFFAOYSA-O

TotalMolweight : 380.513

Molweight : 380.513

MonoisotopicMass : 380.212672

CLogP : 3.2981

CLogS : -5.868

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 316.92

Relative PSA : 0.10302

PolarSurfaceArea : 20.04

Druglikeness : 3.8498

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.58621

Fragments : 1

Non HAtoms : 29

NonCHAtoms : 3

Electronegative Atoms : 3

Rotatable Bond : 4

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 4

Aromatic Atoms : 20

Sp3Atoms : 7

Symmetricatoms : 2

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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