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C25H27N3OCl | Cheminformatics

(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine

Molecular Formula : C25H27N3OCl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |

MolName : (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine

MolecularFormula : C25H27N3OCl

Smiles : Clc1ccc(C[NH+](CC2)CCN2/N=C\c(cc2)ccc2OCc2ccccc2)cc1

InChI : InChI=1S/C25H26ClN3O/c26-24-10-6-22(7-11-24)19-28-14-16-29(17-15-28)27-18-21-8-12-25(13-9-21)30-20-23-4-2-1-3-5-23/h1-13,18H,14-17,19-20H2/p+1

InChIK : QXABQBGMUQJDEH-UHFFFAOYSA-O

TotalMolweight : 420.962

Molweight : 420.962

MonoisotopicMass : 420.184264

CLogP : 2.8634

CLogS : -4.733

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 346.66

Relative PSA : 0.12303

PolarSurfaceArea : 29.27

Druglikeness : 3.2955

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.73333

Fragments : 1

Non HAtoms : 30

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 7

Rings Closures : 4

Small Rings : 4

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 9

Symmetricatoms : 8

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

Request More Details | (Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine


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