N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Molecular Formula : C20H14N2O4Cl2 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is not a drug-like molecule.
MolName : N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
MolecularFormula : C20H14N2O4Cl2 |
Smiles : O=C(c(cc1)cc2c1OCCO2)N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1 |
InChI : InChI=1S/C20H14Cl2N2O4/c21-15-3-1-2-14(19(15)22)16-7-5-13(28-16)11-23-24-20(25)12-4-6-17-18(10-12)27-9-8-26-17/h1-7,10-11H,8-9H2,(H,24,25) |
InChIK : CXRGJOIFARLROJ-UHFFFAOYSA-N |
TotalMolweight : 417.247 |
Molweight : 417.247 |
MonoisotopicMass : 416.033062 |
CLogP : 5.3313 |
CLogS : -6.835 |
H Acceptors : 6 |
H Donors : 1 |
TotalSurfaceArea : 301.3 |
Relative PSA : 0.23272 |
PolarSurfaceArea : 73.06 |
Druglikeness : -0.59822 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.60714 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 4 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 4 |
StereoCon : |
1 - N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
2 - N-[(Z)-[5-(2,3-dichlorophenyl)furan-2-yl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
| spacefill | wire | ball&stick | Iso-vdw | Opaque | Dot Surface| Mep | Translucent | Spin | Label On| Off |