(E)-2-(1H-benzimidazol-2-yl)-3-(10-chloroanthracen-9-yl)prop-2-enenitrile
Formula:C24H14N3Cl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-(10-chloroanthracen-9-yl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-(10-chloroanthracen-9-yl)prop-2-enenitrile |
| MolecularFormula | C24H14N3Cl |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c(c1ccccc11)c(cccc2)c2c1Cl |
| InChI | InChI=1S/C24H14ClN3/c25-23-18-9-3-1-7-16(18)20(17-8-2-4-10-19(17)23)13-15(14-26)24-27-21-11-5-6-12-22(21)28-24/h1-13H,(H,27,28) |
| InChIK | BQXGKUWRCWQYOB-UHFFFAOYSA-N |
| TotalMolweight | 379.849 |
| Molweight | 379.849 |
| MonoisotopicMass | 379.087624 |
| CLogP | 5.8165 |
| CLogS | -7.072 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 286.99 |
| Relative PSA | 0.13422 |
| PolarSurfaceArea | 52.47 |
| Druglikeness | -3.7287 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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