(Z)-3-(1,3-benzodioxol-5-ylamino)-1-(5-chlorothiophen-2-yl)prop-2-en-1-one
Formula:C14H10NO3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(1,3-benzodioxol-5-ylamino)-1-(5-chlorothiophen-2-yl)prop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(1,3-benzodioxol-5-ylamino)-1-(5-chlorothiophen-2-yl)prop-2-en-1-one |
| MolecularFormula | C14H10NO3ClS |
| Smiles | O=C(/C=C\Nc(cc1)cc2c1OCO2)c(s1)ccc1Cl |
| InChI | InChI=1S/C14H10ClNO3S/c15-14-4-3-13(20-14)10(17)5-6-16-9-1-2-11-12(7-9)19-8-18-11/h1-7,16H,8H2 |
| InChIK | DHLUCOJSPRZECR-UHFFFAOYSA-N |
| TotalMolweight | 307.756 |
| Molweight | 307.756 |
| MonoisotopicMass | 307.006991 |
| CLogP | 3.2632 |
| CLogS | -5.26 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 220.35 |
| Relative PSA | 0.29435 |
| PolarSurfaceArea | 75.8 |
| Druglikeness | 2.6476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-(1,3-benzodioxol-5-ylamino)-1-(5-chlorothiophen-2-yl)prop-2-en-1-one | 2 - (Z)-3-(1,3-benzodioxol-5-ylamino)-1-(5-chlorothiophen-2-yl)prop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off