(Z)-3-(5-benzoyl-2-cyanophenyl)prop-2-enoic acid
Formula:C17H11NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(5-benzoyl-2-cyanophenyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-3-(5-benzoyl-2-cyanophenyl)prop-2-enoic acid |
| MolecularFormula | C17H11NO3 |
| Smiles | N#Cc(cc1)c(/C=C\C(O)=O)cc1C(c1ccccc1)=O |
| InChI | InChI=1S/C17H11NO3/c18-11-15-7-6-14(10-13(15)8-9-16(19)20)17(21)12-4-2-1-3-5-12/h1-10H,(H,19,20) |
| InChIK | WSOTTXFZXHXPPA-UHFFFAOYSA-N |
| TotalMolweight | 277.278 |
| Molweight | 277.278 |
| MonoisotopicMass | 277.073894 |
| CLogP | 2.4395 |
| CLogS | -4.872 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 223.08 |
| Relative PSA | 0.23642 |
| PolarSurfaceArea | 78.16 |
| Druglikeness | -3.4865 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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