N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1-phenylmethanamine
Formula:C18H15N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1-phenylmethanamine is a drug-like molecule.
| MolName | N-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-1-phenylmethanamine |
| MolecularFormula | C18H15N3O3 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\NCc3ccccc3)o2)ccc1)=O |
| InChI | InChI=1S/C18H15N3O3/c22-21(23)16-8-4-7-15(11-16)18-10-9-17(24-18)13-20-19-12-14-5-2-1-3-6-14/h1-11,13,19H,12H2 |
| InChIK | IVCJNWQNGCABRQ-UHFFFAOYSA-N |
| TotalMolweight | 321.335 |
| Molweight | 321.335 |
| MonoisotopicMass | 321.111342 |
| CLogP | 3.1365 |
| CLogS | -5.512 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.12 |
| Relative PSA | 0.26355 |
| PolarSurfaceArea | 83.35 |
| Druglikeness | -0.28018 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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