N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-nitroaniline
Formula:C15H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-nitroaniline is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-nitroaniline |
| MolecularFormula | C15H13N3O2 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C(/CC1)\c2c1cccc2)=O |
| InChI | InChI=1S/C15H13N3O2/c19-18(20)13-8-6-12(7-9-13)16-17-15-10-5-11-3-1-2-4-14(11)15/h1-4,6-9,16H,5,10H2 |
| InChIK | DRJJKYKEDZNWNA-UHFFFAOYSA-N |
| TotalMolweight | 267.287 |
| Molweight | 267.287 |
| MonoisotopicMass | 267.100777 |
| CLogP | 4.25 |
| CLogS | -4.288 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 205.14 |
| Relative PSA | 0.26026 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -5.0132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-nitroaniline | 2 - N-[(Z)-2,3-dihydroinden-1-ylideneamino]-4-nitroaniline
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off