2-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
Formula:C15H15N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine is a drug-like molecule.
| MolName | 2-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine |
| MolecularFormula | C15H15N4OCl |
| Smiles | NC(N)=N/N=C/c(cc1)ccc1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C15H15ClN4O/c16-13-5-1-12(2-6-13)10-21-14-7-3-11(4-8-14)9-19-20-15(17)18/h1-9H,10H2,(H4,17,18,20) |
| InChIK | YGTWHYDKFQWMCH-UHFFFAOYSA-N |
| TotalMolweight | 302.764 |
| Molweight | 302.764 |
| MonoisotopicMass | 302.093438 |
| CLogP | 3.8274 |
| CLogS | -5.067 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 236.97 |
| Relative PSA | 0.26822 |
| 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 | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine | 2 - 2-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off