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C24H23N3Cl | Cheminformatics

(Z)-1-(2-chlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine

Molecular Formula : C24H23N3Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |

MolName : (Z)-1-(2-chlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine

MolecularFormula : C24H23N3Cl

Smiles : Clc1c(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)cccc1

InChI : InChI=1S/C24H22ClN3/c25-23-12-6-1-7-18(23)17-26-28-15-13-27(14-16-28)24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h1-12,17,24H,13-16H2/p+1

InChIK : MJISSXIFFMUCTA-UHFFFAOYSA-O

TotalMolweight : 388.921

Molweight : 388.921

MonoisotopicMass : 388.158049

CLogP : 3.4051

CLogS : -5.652

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 308.14

Relative PSA : 0.10596

PolarSurfaceArea : 20.04

Druglikeness : 4.0031

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.53571

Fragments : 1

Non HAtoms : 28

NonCHAtoms : 4

Electronegative Atoms : 4

Rotatable Bond : 3

Rings Closures : 5

Small Rings : 5

Aromatic Rings : 3

Aromatic Atoms : 18

Sp3Atoms : 7

Symmetricatoms : 8

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

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