N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline
Molecular Formula : C17H11N4O5I | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline is a drug-like molecule.
MolName : N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline |
MolecularFormula : C17H11N4O5I |
Smiles : [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\c1ccc(-c(cc2)ccc2I)o1)=O |
InChI : InChI=1S/C17H11IN4O5/c18-12-3-1-11(2-4-12)17-8-6-14(27-17)10-19-20-15-7-5-13(21(23)24)9-16(15)22(25)26/h1-10,20H |
InChIK : ZSQAZHFPUCJZTG-UHFFFAOYSA-N |
TotalMolweight : 478.197 |
Molweight : 478.197 |
MonoisotopicMass : 477.977419 |
CLogP : 4.3737 |
CLogS : -6.545 |
H Acceptors : 9 |
H Donors : 1 |
TotalSurfaceArea : 292.31 |
Relative PSA : 0.33499 |
PolarSurfaceArea : 129.17 |
Druglikeness : -0.32103 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde |
Shape Index : 0.62963 |
Fragments : 1 |
Non HAtoms : 27 |
NonCHAtoms : 10 |
Electronegative Atoms : 10 |
Rotatable Bond : 6 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 2 |
Symmetricatoms : 2 |
AcidicOxygens : 2 |
StereoCon : |