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C19H22N4OF | Cheminformatics
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N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

Molecular Formula : C19H22N4OF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide is a drug-like molecule.

MolName : N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide

MolecularFormula : C19H22N4OF

Smiles : O=C(C[NH+](CC1)CCN1c1ccccc1)N/N=C\c1cccc(F)c1

InChI : InChI=1S/C19H21FN4O/c20-17-6-4-5-16(13-17)14-21-22-19(25)15-23-9-11-24(12-10-23)18-7-2-1-3-8-18/h1-8,13-14H,9-12,15H2,(H,22,25)/p+1

InChIK : CCVDVKPRKZTDLC-UHFFFAOYSA-O

TotalMolweight : 341.409

Molweight : 341.409

MonoisotopicMass : 341.177764

CLogP : 0.616

CLogS : -3.402

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 283.28

Relative PSA : 0.20174

PolarSurfaceArea : 49.14

Druglikeness : 4.522

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.68

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 6

Electronegative Atoms : 6

Rotatable Bond : 5

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 6

Symmetricatoms : 4

Amines : 2

AlkylAmines : 1

Aromatic Amines : 1

BasicNitrogens : 1

StereoCon :

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