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C20H23N4OClF N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide | Chemryt

N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Molecular Formula : C20H23N4OClF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : |

MolName : N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

MolecularFormula : C20H23N4OClF

Smiles : O=C(CC[NH+](CC1)CCN1c1ccccc1)N/N=C\c(c(F)ccc1)c1Cl

InChI : InChI=1S/C20H22ClFN4O/c21-18-7-4-8-19(22)17(18)15-23-24-20(27)9-10-25-11-13-26(14-12-25)16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H,24,27)/p+1

InChIK : FUZXKXRTPRWWGY-UHFFFAOYSA-O

TotalMolweight : 389.881

Molweight : 389.881

MonoisotopicMass : 389.154441

CLogP : 1.6764

CLogS : -4.408

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 312.46

Relative PSA : 0.1829

PolarSurfaceArea : 49.14

Druglikeness : 4.4876

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.66667

Fragments : 1

Non HAtoms : 27

NonCHAtoms : 7

Electronegative Atoms : 7

Rotatable Bond : 6

Rings Closures : 3

Small Rings : 3

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 7

Symmetricatoms : 4

Amines : 2

AlkylAmines : 1

Aromatic Amines : 1

BasicNitrogens : 1

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