MolName : 4-chloro-N-[(E)-[(2Z)-2-[(4-chlorobenzoyl)hydrazinylidene]ethylidene]amino]benzamide |
MolecularFormula : C16H12N4O2Cl2 |
Smiles : O=C(c(cc1)ccc1Cl)N/N=C/C=N\NC(c(cc1)ccc1Cl)=O |
InChI : InChI=1S/C16H12Cl2N4O2/c17-13-5-1-11(2-6-13)15(23)21-19-9-10-20-22-16(24)12-3-7-14(18)8-4-12/h1-10H,(H,21,23)(H,22,24) |
InChIK : VIACHDBFUACSJH-UHFFFAOYSA-N |
TotalMolweight : 363.203 |
Molweight : 363.203 |
MonoisotopicMass : 362.03373 |
CLogP : 3.1286 |
CLogS : -5.434 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 271.8 |
Relative PSA : 0.26497 |
PolarSurfaceArea : 82.92 |
Druglikeness : 4.4715 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : low |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.75 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Symmetricatoms : 4 |
StereoCon : |
spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |