[(E)-[amino-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]methylidene]amino] N-phenylcarbamate
Formula:C21H16N4O3ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
[(E)-[amino-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]methylidene]amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-[amino-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]methylidene]amino] N-phenylcarbamate |
| MolecularFormula | C21H16N4O3ClF3 |
| Smiles | N/C(/c(cc1)ccc1OCc(ncc(C(F)(F)F)c1)c1Cl)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C21H16ClF3N4O3/c22-17-10-14(21(23,24)25)11-27-18(17)12-31-16-8-6-13(7-9-16)19(26)29-32-20(30)28-15-4-2-1-3-5-15/h1-11H,12H2,(H2,26,29)(H,28,30) |
| InChIK | VBQACTCOQLWLDZ-UHFFFAOYSA-N |
| TotalMolweight | 464.83 |
| Molweight | 464.83 |
| MonoisotopicMass | 464.086302 |
| CLogP | 4.9215 |
| CLogS | -6.136 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 330.88 |
| Relative PSA | 0.24858 |
| PolarSurfaceArea | 98.83 |
| Druglikeness | -13.012 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]methylidene]amino] N-phenylcarbamate | 2 - [(E)-[amino-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methoxy]phenyl]methylidene]amino] N-phenylcarbamate
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