2-cyano-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide
Formula:C19H15N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyano-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-cyano-N-[(Z)-[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]acetamide |
| MolecularFormula | C19H15N5O3 |
| Smiles | N#CCC(N/N=C\c1cn(Cc(cc2)ccc2[N+]([O-])=O)c2c1cccc2)=O |
| InChI | InChI=1S/C19H15N5O3/c20-10-9-19(25)22-21-11-15-13-23(18-4-2-1-3-17(15)18)12-14-5-7-16(8-6-14)24(26)27/h1-8,11,13H,9,12H2,(H,22,25) |
| InChIK | ULMCIEWUXCAABS-UHFFFAOYSA-N |
| TotalMolweight | 361.36 |
| Molweight | 361.36 |
| MonoisotopicMass | 361.11749 |
| CLogP | 2.0659 |
| CLogS | -4.407 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 283.69 |
| Relative PSA | 0.30618 |
| PolarSurfaceArea | 116 |
| Druglikeness | -6.2782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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