4-chloro-N-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]benzamide
Molecular Formula : C15H13N4O2Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-chloro-N-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]benzamide is a drug-like molecule.
MolName : 4-chloro-N-[2-oxo-2-[(2Z)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]benzamide |
MolecularFormula : C15H13N4O2Cl |
Smiles : O=C(CNC(c(cc1)ccc1Cl)=O)N/N=C\c1ccncc1 |
InChI : InChI=1S/C15H13ClN4O2/c16-13-3-1-12(2-4-13)15(22)18-10-14(21)20-19-9-11-5-7-17-8-6-11/h1-9H,10H2,(H,18,22)(H,20,21) |
InChIK : LFDICQARAYASLN-UHFFFAOYSA-N |
TotalMolweight : 316.747 |
Molweight : 316.747 |
MonoisotopicMass : 316.072703 |
CLogP : 1.8904 |
CLogS : -3.429 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 244.14 |
Relative PSA : 0.29278 |
PolarSurfaceArea : 83.45 |
Druglikeness : 5.3537 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.72727 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
Amides : 1 |
Aromatic Nitrogens : 1 |
StereoCon : |