N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline
Formula:C17H10N5O7Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline |
| MolecularFormula | C17H10N5O7Cl |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\Nc(ccc([N+]([O-])=O)c3)c3[N+]([O-])=O)o2)c1Cl)=O |
| InChI | InChI=1S/C17H10ClN5O7/c18-14-4-1-10(21(24)25)7-13(14)17-6-3-12(30-17)9-19-20-15-5-2-11(22(26)27)8-16(15)23(28)29/h1-9,20H |
| InChIK | OONAACWQFQNGFL-UHFFFAOYSA-N |
| TotalMolweight | 431.747 |
| Molweight | 431.747 |
| MonoisotopicMass | 431.026877 |
| CLogP | 3.621 |
| CLogS | -6.725 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 305.12 |
| Relative PSA | 0.42062 |
| PolarSurfaceArea | 174.99 |
| Druglikeness | -0.73772 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| AcidicOxygens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline | 2 - N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off