4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
Formula:C15H8N5O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile is a drug-like molecule.
| MolName | 4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile |
| MolecularFormula | C15H8N5O2Cl |
| Smiles | N#Cc(c(C#N)c1)cc(N/N=C\c(cc2)ccc2Cl)c1[N+]([O-])=O |
| InChI | InChI=1S/C15H8ClN5O2/c16-13-3-1-10(2-4-13)9-19-20-14-5-11(7-17)12(8-18)6-15(14)21(22)23/h1-6,9,20H |
| InChIK | MSFHMTWMTMTULG-UHFFFAOYSA-N |
| TotalMolweight | 325.715 |
| Molweight | 325.715 |
| MonoisotopicMass | 325.036652 |
| CLogP | 4.1965 |
| CLogS | -5.891 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 251.75 |
| Relative PSA | 0.3198 |
| PolarSurfaceArea | 117.79 |
| Druglikeness | -7.3842 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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