N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-nitrobenzamide
Formula:C18H15N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-nitrobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-nitrobenzamide |
| MolecularFormula | C18H15N5O4 |
| Smiles | NC(Cn1c(cccc2)c2c(/C=N\NC(c2cccc([N+]([O-])=O)c2)=O)c1)=O |
| InChI | InChI=1S/C18H15N5O4/c19-17(24)11-22-10-13(15-6-1-2-7-16(15)22)9-20-21-18(25)12-4-3-5-14(8-12)23(26)27/h1-10H,11H2,(H2,19,24)(H,21,25) |
| InChIK | BQUIPMXPDQNOBI-UHFFFAOYSA-N |
| TotalMolweight | 365.348 |
| Molweight | 365.348 |
| MonoisotopicMass | 365.112405 |
| CLogP | 1.0341 |
| CLogS | -3.925 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 274.49 |
| Relative PSA | 0.37018 |
| PolarSurfaceArea | 135.3 |
| Druglikeness | 1.971 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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