N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
Molecular Formula : C20H23N4OClF | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |MolName : N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide |
MolecularFormula : C20H23N4OClF |
Smiles : O=C(CC[NH+](CC1)CCN1c1ccccc1)N/N=C\c(c(F)ccc1)c1Cl |
InChI : InChI=1S/C20H22ClFN4O/c21-18-7-4-8-19(22)17(18)15-23-24-20(27)9-10-25-11-13-26(14-12-25)16-5-2-1-3-6-16/h1-8,15H,9-14H2,(H,24,27)/p+1 |
InChIK : FUZXKXRTPRWWGY-UHFFFAOYSA-O |
TotalMolweight : 389.881 |
Molweight : 389.881 |
MonoisotopicMass : 389.154441 |
CLogP : 1.6764 |
CLogS : -4.408 |
H Acceptors : 5 |
H Donors : 2 |
TotalSurfaceArea : 312.46 |
Relative PSA : 0.1829 |
PolarSurfaceArea : 49.14 |
Druglikeness : 4.4876 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 7 |
Symmetricatoms : 4 |
Amines : 2 |
AlkylAmines : 1 |
Aromatic Amines : 1 |
BasicNitrogens : 1 |
StereoCon : |
1 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
2 - N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide
| spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |