(Z)-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]-2-hydroxyprop-2-enoic acid
Formula:C13H15NO3ClF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(Z)-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]-2-hydroxyprop-2-enoic acid is a drug-like molecule.
| MolName | (Z)-3-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]-2-hydroxyprop-2-enoic acid |
| MolecularFormula | C13H15NO3ClF |
| Smiles | O/C(/C(O)=O)=C\c(cc1)ccc1N(CCF)CCCl |
| InChI | InChI=1S/C13H15ClFNO3/c14-5-7-16(8-6-15)11-3-1-10(2-4-11)9-12(17)13(18)19/h1-4,9,17H,5-8H2,(H,18,19) |
| InChIK | DJEIQGQHHGZEMX-UHFFFAOYSA-N |
| TotalMolweight | 287.717 |
| Molweight | 287.717 |
| MonoisotopicMass | 287.072449 |
| CLogP | 2.0199 |
| CLogS | -3.042 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 215.53 |
| Relative PSA | 0.19853 |
| PolarSurfaceArea | 60.77 |
| Druglikeness | 2.2338 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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