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C23H23N4 | Cheminformatics

(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine

Molecular Formula : C23H23N4 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |

MolName : (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-pyridin-3-ylmethanimine

MolecularFormula : C23H23N4

Smiles : C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c1cccnc1

InChI : InChI=1S/C23H22N4/c1-3-9-21-19(7-1)20-8-2-4-10-22(20)23(21)26-12-14-27(15-13-26)25-17-18-6-5-11-24-16-18/h1-11,16-17,23H,12-15H2/p+1

InChIK : JGQSQTHHVFYQNZ-UHFFFAOYSA-O

TotalMolweight : 355.464

Molweight : 355.464

MonoisotopicMass : 355.192271

CLogP : 1.7982

CLogS : -4.121

H Acceptors : 4

H Donors : 1

TotalSurfaceArea : 291.48

Relative PSA : 0.14965

PolarSurfaceArea : 32.93

Druglikeness : 4.0084

Mutagenic : high

Tumorigenic : high

Reproductive Effective : none

Irritant : none

Nasty Functions : imine/hydrazone of aldehyde

Shape Index : 0.55556

Fragments : 1

Non HAtoms : 27

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

Aromatic Nitrogens : 1

BasicNitrogens : 1

StereoCon :

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