[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 4-nitrobenzoate
Formula:C19H16N2O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 4-nitrobenzoate is a drug-like molecule.
| MolName | [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 4-nitrobenzoate |
| MolecularFormula | C19H16N2O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(O/N=C(/CCC1)\C1=C\c1ccccc1)=O)=O |
| InChI | InChI=1S/C19H16N2O4/c22-19(15-9-11-17(12-10-15)21(23)24)25-20-18-8-4-7-16(18)13-14-5-2-1-3-6-14/h1-3,5-6,9-13H,4,7-8H2 |
| InChIK | ADUJMBNROFOHIU-UHFFFAOYSA-N |
| TotalMolweight | 336.346 |
| Molweight | 336.346 |
| MonoisotopicMass | 336.111008 |
| CLogP | 4.1524 |
| CLogS | -5.217 |
| H Acceptors | 6 |
| TotalSurfaceArea | 259.9 |
| Relative PSA | 0.24998 |
| PolarSurfaceArea | 84.48 |
| Druglikeness | -9.5586 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 4-nitrobenzoate | 2 - [(Z)-[(2E)-2-benzylidenecyclopentylidene]amino] 4-nitrobenzoate
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