[(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C19H17N4O6Cl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
[(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C19H17N4O6Cl |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(C(CCCC2)/C2=N/OC(Nc(cc2)ccc2Cl)=O)cc1)=O |
| InChI | InChI=1S/C19H17ClN4O6/c20-12-5-7-13(8-6-12)21-19(25)30-22-17-4-2-1-3-15(17)16-10-9-14(23(26)27)11-18(16)24(28)29/h5-11,15H,1-4H2,(H,21,25)/t15-/m1/s1 |
| InChIK | JSRASXQLAWASLT-OAHLLOKOSA-N |
| TotalMolweight | 432.819 |
| Molweight | 432.819 |
| MonoisotopicMass | 432.083663 |
| CLogP | 4.1699 |
| CLogS | -7.038 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 312 |
| Relative PSA | 0.34247 |
| PolarSurfaceArea | 142.33 |
| Druglikeness | -15.346 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
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1 - [(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] N-(4-chlorophenyl)carbamate
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