4-(2-amino-2-oxoethoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
Molecular Formula : C16H13N3O3Cl2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |4-(2-amino-2-oxoethoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide is a drug-like molecule.
MolName : 4-(2-amino-2-oxoethoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide |
MolecularFormula : C16H13N3O3Cl2 |
Smiles : NC(COc(cc1)ccc1C(N/N=C\c(ccc(Cl)c1)c1Cl)=O)=O |
InChI : InChI=1S/C16H13Cl2N3O3/c17-12-4-1-11(14(18)7-12)8-20-21-16(23)10-2-5-13(6-3-10)24-9-15(19)22/h1-8H,9H2,(H2,19,22)(H,21,23) |
InChIK : MRALQMJDJCVBDN-UHFFFAOYSA-N |
TotalMolweight : 366.203 |
Molweight : 366.203 |
MonoisotopicMass : 365.033396 |
CLogP : 3.0758 |
CLogS : -5.062 |
H Acceptors : 6 |
H Donors : 2 |
TotalSurfaceArea : 267.86 |
Relative PSA : 0.27746 |
PolarSurfaceArea : 93.78 |
Druglikeness : 4.5742 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.70833 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 6 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 2 |
Symmetricatoms : 2 |
Amides : 1 |
StereoCon : |