1-[(Z)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
Formula:C15H12N6OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine is a drug-like molecule.
| MolName | 1-[(Z)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine |
| MolecularFormula | C15H12N6OCl2 |
| Smiles | Nc1nnnn1/N=C\c(cccc1)c1OCc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C15H12Cl2N6O/c16-12-6-5-10(7-13(12)17)9-24-14-4-2-1-3-11(14)8-19-23-15(18)20-21-22-23/h1-8H,9H2,(H2,18,20,22) |
| InChIK | JGRYVLIKPSKBEF-UHFFFAOYSA-N |
| TotalMolweight | 363.207 |
| Molweight | 363.207 |
| MonoisotopicMass | 362.044963 |
| CLogP | 3.7866 |
| CLogS | -6.6 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 266.14 |
| Relative PSA | 0.28767 |
| PolarSurfaceArea | 91.21 |
| Druglikeness | 0.84074 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 1-[(Z)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine | 2 - 1-[(Z)-[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
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