[(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-(3,4-dichlorophenyl)carbamate
Formula:C14H8N4O2Cl3F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
[(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-(3,4-dichlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-(3,4-dichlorophenyl)carbamate |
| MolecularFormula | C14H8N4O2Cl3F3 |
| Smiles | N/C(/c(ncc(C(F)(F)F)c1)c1Cl)=N/OC(Nc(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C14H8Cl3F3N4O2/c15-8-2-1-7(4-9(8)16)23-13(25)26-24-12(21)11-10(17)3-6(5-22-11)14(18,19)20/h1-5H,(H2,21,24)(H,23,25) |
| InChIK | MJNGCUKUBKRBTG-UHFFFAOYSA-N |
| TotalMolweight | 427.597 |
| Molweight | 427.597 |
| MonoisotopicMass | 425.966491 |
| CLogP | 4.7854 |
| CLogS | -6.267 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 278.2 |
| Relative PSA | 0.25971 |
| PolarSurfaceArea | 89.6 |
| Druglikeness | -12.841 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-(3,4-dichlorophenyl)carbamate | 2 - [(E)-[amino-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]amino] N-(3,4-dichlorophenyl)carbamate
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