4-amino-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Molecular Formula : C18H13N4O4Cl | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |4-amino-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
MolName : 4-amino-N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide |
MolecularFormula : C18H13N4O4Cl |
Smiles : Nc(cc1)ccc1C(N/N=C\c1ccc(-c(ccc([N+]([O-])=O)c2)c2Cl)o1)=O |
InChI : InChI=1S/C18H13ClN4O4/c19-16-9-13(23(25)26)5-7-15(16)17-8-6-14(27-17)10-21-22-18(24)11-1-3-12(20)4-2-11/h1-10H,20H2,(H,22,24) |
InChIK : ARQAMMMBYUOZCG-UHFFFAOYSA-N |
TotalMolweight : 384.778 |
Molweight : 384.778 |
MonoisotopicMass : 384.062533 |
CLogP : 3.1476 |
CLogS : -6.453 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 284.05 |
Relative PSA : 0.3373 |
PolarSurfaceArea : 126.44 |
Druglikeness : 1.3891 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.66667 |
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 |
Amines : 1 |
Aromatic Amines : 1 |
AcidicOxygens : 1 |
StereoCon : |