2-chloro-5-iodo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Molecular Formula : C18H11N3O4ClI | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |2-chloro-5-iodo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
MolName : 2-chloro-5-iodo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide |
MolecularFormula : C18H11N3O4ClI |
Smiles : [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(c(cc(cc2)I)c2Cl)=O)o1)=O |
InChI : InChI=1S/C18H11ClIN3O4/c19-16-7-3-12(20)9-15(16)18(24)22-21-10-14-6-8-17(27-14)11-1-4-13(5-2-11)23(25)26/h1-10H,(H,22,24) |
InChIK : DWIXSFKXDQXUET-UHFFFAOYSA-N |
TotalMolweight : 495.655 |
Molweight : 495.655 |
MonoisotopicMass : 494.948282 |
CLogP : 4.262 |
CLogS : -7.393 |
H Acceptors : 7 |
H Donors : 1 |
TotalSurfaceArea : 301.81 |
Relative PSA : 0.26686 |
PolarSurfaceArea : 100.42 |
Druglikeness : 1.8034 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.62963 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
AcidicOxygens : 1 |
StereoCon : |