(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine
Molecular Formula : C30H28N3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine is a drug-like molecule.
MolName : (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(4-phenylphenyl)methanimine |
MolecularFormula : C30H28N3 |
Smiles : C(C[NH+](CC1)C2c(cccc3)c3-c3c2cccc3)N1/N=C\c(cc1)ccc1-c1ccccc1 |
InChI : InChI=1S/C30H27N3/c1-2-8-24(9-3-1)25-16-14-23(15-17-25)22-31-33-20-18-32(19-21-33)30-28-12-6-4-10-26(28)27-11-5-7-13-29(27)30/h1-17,22,30H,18-21H2/p+1 |
InChIK : VGQLRFOGNGBQPU-UHFFFAOYSA-O |
TotalMolweight : 430.573 |
Molweight : 430.573 |
MonoisotopicMass : 430.228322 |
CLogP : 4.4583 |
CLogS : -7.002 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 352.48 |
Relative PSA : 0.092629 |
PolarSurfaceArea : 20.04 |
Druglikeness : 4.0084 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.57576 |
Fragments : 1 |
Non HAtoms : 33 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 4 |
Rings Closures : 6 |
Small Rings : 6 |
Aromatic Rings : 4 |
Aromatic Atoms : 24 |
Sp3Atoms : 7 |
Symmetricatoms : 12 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |