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C24H23N3F | Cheminformatics

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

Molecular Formula : C24H23N3F | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |

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

MolecularFormula : C24H23N3F

Smiles : Fc1ccc(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)cc1

InChI : InChI=1S/C24H22FN3/c25-19-11-9-18(10-12-19)17-26-28-15-13-27(14-16-28)24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-12,17,24H,13-16H2/p+1

InChIK : XNQSWLMNTBLBQH-UHFFFAOYSA-O

TotalMolweight : 372.466

Molweight : 372.466

MonoisotopicMass : 372.1876

CLogP : 2.8999

CLogS : -5.23

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 299.07

Relative PSA : 0.10917

PolarSurfaceArea : 20.04

Druglikeness : 2.6684

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.57143

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 : 10

Amines : 1

AlkylAmines : 1

BasicNitrogens : 1

StereoCon :

Request More Details | (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-fluorophenyl)methanimine


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