N-[(Z)-[3-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C27H29N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-[2-(4-cyclohexylphenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C27H29N3O3 |
| Smiles | O=C(c1ccncc1)N/N=C\c1cc(OCCOc2ccc(C3CCCCC3)cc2)ccc1 |
| InChI | InChI=1S/C27H29N3O3/c31-27(24-13-15-28-16-14-24)30-29-20-21-5-4-8-26(19-21)33-18-17-32-25-11-9-23(10-12-25)22-6-2-1-3-7-22/h4-5,8-16,19-20,22H,1-3,6-7,17-18H2,(H,30,31) |
| InChIK | PCNMMTAXDZFLOG-UHFFFAOYSA-N |
| TotalMolweight | 443.545 |
| Molweight | 443.545 |
| MonoisotopicMass | 443.220892 |
| CLogP | 5.6925 |
| CLogS | -5.961 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 360.83 |
| Relative PSA | 0.18563 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | -7.6913 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69697 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 10 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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