N-[(E)-(6-chloro-2-phenylchromen-4-ylidene)amino]-1H-benzimidazol-2-amine
Formula:C22H15N4OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(6-chloro-2-phenylchromen-4-ylidene)amino]-1H-benzimidazol-2-amine is not a drug-like molecule.
| MolName | N-[(E)-(6-chloro-2-phenylchromen-4-ylidene)amino]-1H-benzimidazol-2-amine |
| MolecularFormula | C22H15N4OCl |
| Smiles | Clc(cc1)cc2c1OC(c1ccccc1)=C/C2=N\Nc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C22H15ClN4O/c23-15-10-11-20-16(12-15)19(13-21(28-20)14-6-2-1-3-7-14)26-27-22-24-17-8-4-5-9-18(17)25-22/h1-13H,(H2,24,25,27) |
| InChIK | JRLQTZLEMVELJV-UHFFFAOYSA-N |
| TotalMolweight | 386.841 |
| Molweight | 386.841 |
| MonoisotopicMass | 386.093438 |
| CLogP | 7.1959 |
| CLogS | -6.171 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 286.77 |
| Relative PSA | 0.20201 |
| PolarSurfaceArea | 62.3 |
| Druglikeness | 2.4365 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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-chloro-2-phenylchromen-4-ylidene)amino]-1H-benzimidazol-2-amine | 2 - N-[(E)-(6-chloro-2-phenylchromen-4-ylidene)amino]-1H-benzimidazol-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off