2-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
Formula:C15H14N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine |
| MolecularFormula | C15H14N4OCl2 |
| Smiles | NC(N)=N/N=C\c(cc1)ccc1OCc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C15H14Cl2N4O/c16-13-6-3-11(7-14(13)17)9-22-12-4-1-10(2-5-12)8-20-21-15(18)19/h1-8H,9H2,(H4,18,19,21) |
| InChIK | RFUDSPIIZKGMIK-UHFFFAOYSA-N |
| TotalMolweight | 337.209 |
| Molweight | 337.209 |
| MonoisotopicMass | 336.054465 |
| CLogP | 4.4334 |
| CLogS | -5.803 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 252.39 |
| Relative PSA | 0.25183 |
| PolarSurfaceArea | 85.99 |
| Druglikeness | 1.015 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine | 2 - 2-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
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