N-[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide
Formula:C23H15N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide is a drug-like molecule.
| MolName | N-[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide |
| MolecularFormula | C23H15N5O4 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C1/Oc(cccc2)c2C=C1c1nc(cccc2)c2[nH]1)=O)=O |
| InChI | InChI=1S/C23H15N5O4/c29-22(14-9-11-16(12-10-14)28(30)31)26-27-23-17(13-15-5-1-4-8-20(15)32-23)21-24-18-6-2-3-7-19(18)25-21/h1-13H,(H,24,25)(H,26,29) |
| InChIK | PTMFJWPHWVZGFY-UHFFFAOYSA-N |
| TotalMolweight | 425.403 |
| Molweight | 425.403 |
| MonoisotopicMass | 425.112405 |
| CLogP | 2.7584 |
| CLogS | -5.063 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 312.77 |
| Relative PSA | 0.32417 |
| PolarSurfaceArea | 125.19 |
| Druglikeness | -1.2312 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide | 2 - N-[(E)-[3-(1H-benzimidazol-2-yl)chromen-2-ylidene]amino]-4-nitrobenzamide
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