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C21H23N4 | Cheminformatics

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

Molecular Formula : C21H23N4 | Mutagenic : none | Tumorigenic : high | Reproductive Effective : none |

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

MolecularFormula : C21H23N4

Smiles : C(c1cccc2ccccc12)[NH+](CC1)CCN1/N=C\c1ccncc1

InChI : InChI=1S/C21H22N4/c1-2-7-21-19(4-1)5-3-6-20(21)17-24-12-14-25(15-13-24)23-16-18-8-10-22-11-9-18/h1-11,16H,12-15,17H2/p+1

InChIK : WIEWCVDFHPBMMK-UHFFFAOYSA-O

TotalMolweight : 331.442

Molweight : 331.442

MonoisotopicMass : 331.192271

CLogP : 1.1028

CLogS : -3.467

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 281.08

Relative PSA : 0.15519

PolarSurfaceArea : 32.93

Druglikeness : 3.8498

Mutagenic : none

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.64

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 4

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 16

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 1

AlkylAmines : 1

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

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