MolName : (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-naphthalen-1-ylmethanimine |
MolecularFormula : C28H26N3 |
Smiles : C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c1cccc2ccccc12 |
InChI : InChI=1S/C28H25N3/c1-2-11-23-21(8-1)9-7-10-22(23)20-29-31-18-16-30(17-19-31)28-26-14-5-3-12-24(26)25-13-4-6-15-27(25)28/h1-15,20,28H,16-19H2/p+1 |
InChIK : CTGXXIUKDMUJTI-UHFFFAOYSA-O |
TotalMolweight : 404.535 |
Molweight : 404.535 |
MonoisotopicMass : 404.212672 |
CLogP : 3.9935 |
CLogS : -6.522 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 327.32 |
Relative PSA : 0.099749 |
PolarSurfaceArea : 20.04 |
Druglikeness : 4.0084 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.51613 |
Fragments : 1 |
Non HAtoms : 31 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 3 |
Rings Closures : 6 |
Small Rings : 6 |
Aromatic Rings : 4 |
Aromatic Atoms : 22 |
Sp3Atoms : 7 |
Symmetricatoms : 8 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |