(E)-3-(2-nitrophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
Formula:C19H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-nitrophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-nitrophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide |
| MolecularFormula | C19H18N2O3 |
| Smiles | [O-][N+](c1c(/C=C/C(NC(CCC2)c3c2cccc3)=O)cccc1)=O |
| InChI | InChI=1S/C19H18N2O3/c22-19(13-12-15-7-2-4-11-18(15)21(23)24)20-17-10-5-8-14-6-1-3-9-16(14)17/h1-4,6-7,9,11-13,17H,5,8,10H2,(H,20,22)/t17-/m0/s1 |
| InChIK | JTDTZNMXFSDVHW-KRWDZBQOSA-N |
| TotalMolweight | 322.363 |
| Molweight | 322.363 |
| MonoisotopicMass | 322.131743 |
| CLogP | 2.9522 |
| CLogS | -4.434 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 252.68 |
| Relative PSA | 0.21735 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -7.094 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - (E)-3-(2-nitrophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide | 2 - (E)-3-(2-nitrophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)prop-2-enamide
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