1,3-bis[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]urea
Molecular Formula : C23H16N6O7 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |1,3-bis[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]urea is not a drug-like molecule.
MolName : 1,3-bis[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]urea |
MolecularFormula : C23H16N6O7 |
Smiles : [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(N/N=C\c2ccc(-c(cc3)ccc3[N+]([O-])=O)o2)=O)o1)=O |
InChI : InChI=1S/C23H16N6O7/c30-23(26-24-13-19-9-11-21(35-19)15-1-5-17(6-2-15)28(31)32)27-25-14-20-10-12-22(36-20)16-3-7-18(8-4-16)29(33)34/h1-14H,(H2,26,27,30) |
InChIK : PSOSHJFUCBFQRG-UHFFFAOYSA-N |
TotalMolweight : 488.415 |
Molweight : 488.415 |
MonoisotopicMass : 488.108049 |
CLogP : 3.6246 |
CLogS : -8.67 |
H Acceptors : 13 |
H Donors : 2 |
TotalSurfaceArea : 369.45 |
Relative PSA : 0.4007 |
PolarSurfaceArea : 183.77 |
Druglikeness : 0.55539 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde |
Shape Index : 0.69444 |
Fragments : 1 |
Non HAtoms : 36 |
NonCHAtoms : 13 |
Electronegative Atoms : 13 |
Rotatable Bond : 8 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 4 |
Aromatic Atoms : 22 |
Sp3Atoms : 2 |
Symmetricatoms : 19 |
AcidicOxygens : 2 |
StereoCon : |