(Z)-1-(2-chlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine
Molecular Formula : C24H23N3Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |(Z)-1-(2-chlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine is a drug-like molecule.
MolName : (Z)-1-(2-chlorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-4-ium-1-yl]methanimine |
MolecularFormula : C24H23N3Cl |
Smiles : Clc1c(/C=N\N(CC2)CC[NH+]2C2c(cccc3)c3-c3c2cccc3)cccc1 |
InChI : InChI=1S/C24H22ClN3/c25-23-12-6-1-7-18(23)17-26-28-15-13-27(14-16-28)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 : MJISSXIFFMUCTA-UHFFFAOYSA-O |
TotalMolweight : 388.921 |
Molweight : 388.921 |
MonoisotopicMass : 388.158049 |
CLogP : 3.4051 |
CLogS : -5.652 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 308.14 |
Relative PSA : 0.10596 |
PolarSurfaceArea : 20.04 |
Druglikeness : 4.0031 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : imine/hydrazone of aldehyde |
Shape Index : 0.53571 |
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 : 8 |
Amines : 1 |
AlkylAmines : 1 |
BasicNitrogens : 1 |
StereoCon : |