1-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
Formula:C18H13N4O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea is a drug-like molecule.
| MolName | 1-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea |
| MolecularFormula | C18H13N4O4Cl |
| Smiles | [O-][N+](c(cc(cc1)-c2ccc(/C=N\NC(Nc3ccccc3)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C18H13ClN4O4/c19-15-8-6-12(10-16(15)23(25)26)17-9-7-14(27-17)11-20-22-18(24)21-13-4-2-1-3-5-13/h1-11H,(H2,21,22,24) |
| InChIK | BCTJXBYKSIDGHD-UHFFFAOYSA-N |
| TotalMolweight | 384.778 |
| Molweight | 384.778 |
| MonoisotopicMass | 384.062533 |
| CLogP | 3.8188 |
| CLogS | -6.893 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 286.99 |
| Relative PSA | 0.32057 |
| PolarSurfaceArea | 112.45 |
| Druglikeness | 0.91094 |
| 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 | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea | 2 - 1-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]-3-phenylurea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off