[(E)-[amino-(4-chlorophenyl)methylidene]amino] adamantane-1-carboxylate
Formula:C18H21N2O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(E)-[amino-(4-chlorophenyl)methylidene]amino] adamantane-1-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] adamantane-1-carboxylate |
| MolecularFormula | C18H21N2O2Cl |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(C1(CC(C2)C3)CC3CC2C1)=O |
| InChI | InChI=1S/C18H21ClN2O2/c19-15-3-1-14(2-4-15)16(20)21-23-17(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,20,21) |
| InChIK | AQMDPFLAGFGLMK-UHFFFAOYSA-N |
| TotalMolweight | 332.83 |
| Molweight | 332.83 |
| MonoisotopicMass | 332.129155 |
| CLogP | 4.1314 |
| CLogS | -5.257 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 237.89 |
| Relative PSA | 0.20942 |
| PolarSurfaceArea | 64.68 |
| Druglikeness | -1.7119 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 5 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] adamantane-1-carboxylate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] adamantane-1-carboxylate
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