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 : |