(Z)-2-amino-3-[(3-chlorophenyl)methylideneamino]but-2-enedinitrile
Formula:C11H7N4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-2-amino-3-[(3-chlorophenyl)methylideneamino]but-2-enedinitrile is a drug-like molecule.
| MolName | (Z)-2-amino-3-[(3-chlorophenyl)methylideneamino]but-2-enedinitrile |
| MolecularFormula | C11H7N4Cl |
| Smiles | N/C(/C#N)=C(/C#N)\N=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C11H7ClN4/c12-9-3-1-2-8(4-9)7-16-11(6-14)10(15)5-13/h1-4,7H,15H2 |
| InChIK | BKMDREINDHMFQI-UHFFFAOYSA-N |
| TotalMolweight | 230.658 |
| Molweight | 230.658 |
| MonoisotopicMass | 230.035923 |
| CLogP | 2.0749 |
| CLogS | -4.085 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 188.3 |
| Relative PSA | 0.28625 |
| PolarSurfaceArea | 85.96 |
| Druglikeness | -5.4293 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - (Z)-2-amino-3-[(3-chlorophenyl)methylideneamino]but-2-enedinitrile | 2 - (Z)-2-amino-3-[(3-chlorophenyl)methylideneamino]but-2-enedinitrile
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