2-[2-chloroethyl(3-chloropropyl)amino]acetic acid
Formula:C7H13NO2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[2-chloroethyl(3-chloropropyl)amino]acetic acid is a drug-like molecule.
| MolName | 2-[2-chloroethyl(3-chloropropyl)amino]acetic acid |
| MolecularFormula | C7H13NO2Cl2 |
| Smiles | OC(CN(CCCCl)CCCl)=O |
| InChI | InChI=1S/C7H13Cl2NO2/c8-2-1-4-10(5-3-9)6-7(11)12/h1-6H2,(H,11,12) |
| InChIK | CVTXLRFLMVOVHW-UHFFFAOYSA-N |
| TotalMolweight | 214.091 |
| Molweight | 214.091 |
| MonoisotopicMass | 213.032333 |
| CLogP | -0.3938 |
| CLogS | -1.254 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 161.3 |
| Relative PSA | 0.18407 |
| PolarSurfaceArea | 40.54 |
| Druglikeness | -4.8651 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Sp3Atoms | 8 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-chloroethyl(3-chloropropyl)amino]acetic acid | 2 - 2-[2-chloroethyl(3-chloropropyl)amino]acetic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off