2-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
Molecular Formula : C16H13N2O3Cl | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |2-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide is a drug-like molecule.
MolName : 2-chloro-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide |
MolecularFormula : C16H13N2O3Cl |
Smiles : O=C(c(cccc1)c1Cl)N/N=C\c(cc1)cc2c1OCCO2 |
InChI : InChI=1S/C16H13ClN2O3/c17-13-4-2-1-3-12(13)16(20)19-18-10-11-5-6-14-15(9-11)22-8-7-21-14/h1-6,9-10H,7-8H2,(H,19,20) |
InChIK : WSNIPLMZIMSYMR-UHFFFAOYSA-N |
TotalMolweight : 316.743 |
Molweight : 316.743 |
MonoisotopicMass : 316.06147 |
CLogP : 3.7864 |
CLogS : -4.639 |
H Acceptors : 5 |
H Donors : 1 |
TotalSurfaceArea : 236.43 |
Relative PSA : 0.2369 |
PolarSurfaceArea : 59.92 |
Druglikeness : -2.8286 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.63636 |
Fragments : 1 |
Non HAtoms : 22 |
NonCHAtoms : 6 |
Electronegative Atoms : 6 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
StereoCon : |