6-(quinazolin-3-ium-4-ylamino)hexanoic acid
Formula:C14H18N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-(quinazolin-3-ium-4-ylamino)hexanoic acid is a drug-like molecule.
| MolName | 6-(quinazolin-3-ium-4-ylamino)hexanoic acid |
| MolecularFormula | C14H18N3O2 |
| Smiles | OC(CCCCCNc1[nH+]cnc2ccccc12)=O |
| InChI | InChI=1S/C14H17N3O2/c18-13(19)8-2-1-5-9-15-14-11-6-3-4-7-12(11)16-10-17-14/h3-4,6-7,10H,1-2,5,8-9H2,(H,18,19)(H,15,16,17)/p+1 |
| InChIK | BDLPEHKHHJHYGF-UHFFFAOYSA-O |
| TotalMolweight | 260.316 |
| Molweight | 260.316 |
| MonoisotopicMass | 260.139902 |
| CLogP | 0.3815 |
| CLogS | -3.553 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 198.77 |
| Relative PSA | 0.24435 |
| PolarSurfaceArea | 76.36 |
| Druglikeness | -9.5527 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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