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C20H24N4OF | Cheminformatics

N-[(Z)-(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Molecular Formula : C20H24N4OF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : N-[(Z)-(4-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

MolecularFormula : C20H24N4OF

Smiles : O=C(CC[NH+](CC1)CCN1c1ccccc1)N/N=C\c(cc1)ccc1F

InChI : InChI=1S/C20H23FN4O/c21-18-8-6-17(7-9-18)16-22-23-20(26)10-11-24-12-14-25(15-13-24)19-4-2-1-3-5-19/h1-9,16H,10-15H2,(H,23,26)/p+1

InChIK : BTPBKYVSIGOYMC-UHFFFAOYSA-O

TotalMolweight : 355.436

Molweight : 355.436

MonoisotopicMass : 355.193414

CLogP : 1.0704

CLogS : -3.672

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 297.04

Relative PSA : 0.1924

PolarSurfaceArea : 49.14

Druglikeness : 4.4639

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.73077

Fragments : 1

Non HAtoms : 26

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 6

Amines : 2

AlkylAmines : 1

Aromatic Amines : 1

BasicNitrogens : 1

StereoCon :

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