(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine
Molecular Formula : C24H23N4O2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine is a drug-like molecule.
MolName : (Z)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]-1-(2-nitrophenyl)methanimine |
MolecularFormula : C24H23N4O2 |
Smiles : [O-][N+](c1c(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)cccc1)=O |
InChI : InChI=1S/C24H22N4O2/c29-28(30)23-12-6-1-7-18(23)17-25-27-15-13-26(14-16-27)24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h1-12,17,24H,13-16H2/p+1 |
InChIK : YDZTVMFLSZTBCN-UHFFFAOYSA-O |
TotalMolweight : 399.473 |
Molweight : 399.473 |
MonoisotopicMass : 399.182101 |
CLogP : 3.1923 |
CLogS : -5.376 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 316.39 |
Relative PSA : 0.19934 |
PolarSurfaceArea : 65.86 |
Druglikeness : -0.91559 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde |
Shape Index : 0.5 |
Fragments : 1 |
Non HAtoms : 30 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 4 |
Rings Closures : 5 |
Small Rings : 5 |
Aromatic Rings : 3 |
Aromatic Atoms : 18 |
Sp3Atoms : 8 |
Symmetricatoms : 8 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |