N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4,6-trichloroaniline
Molecular Formula : C17H10N2OBrCl3 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : low |N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4,6-trichloroaniline is not a drug-like molecule.
MolName : N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2,4,6-trichloroaniline |
MolecularFormula : C17H10N2OBrCl3 |
Smiles : Clc(cc1Cl)cc(Cl)c1N/N=C\c1ccc(-c(cc2)ccc2Br)o1 |
InChI : InChI=1S/C17H10BrCl3N2O/c18-11-3-1-10(2-4-11)16-6-5-13(24-16)9-22-23-17-14(20)7-12(19)8-15(17)21/h1-9,23H |
InChIK : FGACDBQRUPESHX-UHFFFAOYSA-N |
TotalMolweight : 444.542 |
Molweight : 444.542 |
MonoisotopicMass : 441.904205 |
CLogP : 8.323 |
CLogS : -7.651 |
H Acceptors : 3 |
H Donors : 1 |
TotalSurfaceArea : 283.58 |
Relative PSA : 0.13076 |
PolarSurfaceArea : 37.53 |
Druglikeness : 2.6086 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : low |
Irritant : low |
Nasty Functions : imine/hydrazone of aldehyde; polyhalo aromatic ring |
Shape Index : 0.66667 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 7 |
Electronegative Atoms : 7 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 1 |
Symmetricatoms : 5 |
StereoCon : |