N-[(E)-(6,8-dichloro-2-phenylchromen-4-ylidene)amino]-1H-benzimidazol-2-amine
Formula:C22H14N4OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-(6,8-dichloro-2-phenylchromen-4-ylidene)amino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(6,8-dichloro-2-phenylchromen-4-ylidene)amino]-1H-benzimidazol-2-amine |
| MolecularFormula | C22H14N4OCl2 |
| Smiles | Clc(cc12)cc(Cl)c1OC(c1ccccc1)=C/C2=N\Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C22H14Cl2N4O/c23-14-10-15-19(27-28-22-25-17-8-4-5-9-18(17)26-22)12-20(13-6-2-1-3-7-13)29-21(15)16(24)11-14/h1-12H,(H2,25,26,28) |
| InChIK | USTGQUPRMMDPDK-UHFFFAOYSA-N |
| TotalMolweight | 421.286 |
| Molweight | 421.286 |
| MonoisotopicMass | 420.054465 |
| CLogP | 7.8019 |
| CLogS | -6.907 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 302.19 |
| Relative PSA | 0.1917 |
| PolarSurfaceArea | 62.3 |
| Druglikeness | 2.4365 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-(6,8-dichloro-2-phenylchromen-4-ylidene)amino]-1H-benzimidazol-2-amine | 2 - N-[(E)-(6,8-dichloro-2-phenylchromen-4-ylidene)amino]-1H-benzimidazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off