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C20H23N4OCl2 | Cheminformatics

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Molecular Formula : C20H23N4OCl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

MolecularFormula : C20H23N4OCl2

Smiles : O=C(CC[NH+](CC1)CCN1c1ccccc1)N/N=C\c(ccc(Cl)c1)c1Cl

InChI : InChI=1S/C20H22Cl2N4O/c21-17-7-6-16(19(22)14-17)15-23-24-20(27)8-9-25-10-12-26(13-11-25)18-4-2-1-3-5-18/h1-7,14-15H,8-13H2,(H,24,27)/p+1

InChIK : HXBJOZNTEXSPNR-UHFFFAOYSA-O

TotalMolweight : 406.336

Molweight : 406.336

MonoisotopicMass : 405.12489

CLogP : 2.1816

CLogS : -4.83

H Acceptors : 5

H Donors : 2

TotalSurfaceArea : 321.53

Relative PSA : 0.17774

PolarSurfaceArea : 49.14

Druglikeness : 5.8276

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

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

Shape Index : 0.7037

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

StereoCon :

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