2-[(Z)-(2-oxo-3,3-diphenylinden-1-ylidene)amino]guanidine
Formula:C22H18N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
2-[(Z)-(2-oxo-3,3-diphenylinden-1-ylidene)amino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-(2-oxo-3,3-diphenylinden-1-ylidene)amino]guanidine |
| MolecularFormula | C22H18N4O |
| Smiles | NC(N)=N/N=C(\C(C1(c2ccccc2)c2ccccc2)=O)/c2c1cccc2 |
| InChI | InChI=1S/C22H18N4O/c23-21(24)26-25-19-17-13-7-8-14-18(17)22(20(19)27,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14H,(H4,23,24,26) |
| InChIK | JDCFIZJDCNJBGN-UHFFFAOYSA-N |
| TotalMolweight | 354.412 |
| Molweight | 354.412 |
| MonoisotopicMass | 354.148061 |
| CLogP | 4.0768 |
| CLogS | -5.504 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 270.42 |
| Relative PSA | 0.24628 |
| PolarSurfaceArea | 93.83 |
| Druglikeness | 1.6524 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine |
| Shape Index | 0.40741 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 9 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-(2-oxo-3,3-diphenylinden-1-ylidene)amino]guanidine | 2 - 2-[(Z)-(2-oxo-3,3-diphenylinden-1-ylidene)amino]guanidine
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