[(E)-2,3-dihydrochromen-4-ylideneamino] 2-chlorobenzoate
Formula:C16H12NO3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-2,3-dihydrochromen-4-ylideneamino] 2-chlorobenzoate is a drug-like molecule.
| MolName | [(E)-2,3-dihydrochromen-4-ylideneamino] 2-chlorobenzoate |
| MolecularFormula | C16H12NO3Cl |
| Smiles | O=C(c(cccc1)c1Cl)O/N=C1/c(cccc2)c2OCC1 |
| InChI | InChI=1S/C16H12ClNO3/c17-13-7-3-1-5-11(13)16(19)21-18-14-9-10-20-15-8-4-2-6-12(14)15/h1-8H,9-10H2 |
| InChIK | JZQKLCWYKDKUQH-UHFFFAOYSA-N |
| TotalMolweight | 301.728 |
| Molweight | 301.728 |
| MonoisotopicMass | 301.050571 |
| CLogP | 4.6078 |
| CLogS | -5.001 |
| H Acceptors | 4 |
| TotalSurfaceArea | 223.18 |
| Relative PSA | 0.19961 |
| PolarSurfaceArea | 47.89 |
| Druglikeness | -2.6255 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-2,3-dihydrochromen-4-ylideneamino] 2-chlorobenzoate | 2 - [(E)-2,3-dihydrochromen-4-ylideneamino] 2-chlorobenzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off