Chemical Name - 4-amino-3,4-dihydro-2,2-dimethyl-6-bromo-2H-1-benzopyran
Mol Weight - 256.142
Smiles - CC(C)(CC1N)Oc(cc2)c1cc2Br
Mol Weight - 256.142
Smiles - CC(C)(CC1N)Oc(cc2)c1cc2Br
| Property Value | |
| Mol Name | 4-amino-3,4-dihydro-2,2-dimethyl-6-bromo-2H-1-benzopyran |
| Molweight | 256.142 |
| Monoisotopic Mass | 255.025875 |
| Clogp | 2.4515 |
| Clogs | -3.102 |
| H Acceptors | 2 |
| H Donors | 1 |
| Total Surface Area | 158.1 |
| Relative Psa | 0.15984 |
| Polar Surface Area | 35.25 |
| Druglikeness | -4.3672 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.57143 |
| Molecular Flexibility | 0.17669 |
| Molecular Complexity | 0.74421 |
| Fragments | 1 |
| Non H Atoms | 14 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Stereo Centers | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 7 |
| Symmetric Atoms | 1 |
| Amines | 1 |
| Alkyl Amines | 1 |
| Basic Nitrogens | 1 |
| Smiles | CC(C)(CC1N)Oc(cc2)c1cc2Br |
| InChIKey | InChI=1S/C11H14BrNO/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5,9H,6,13H2,1-2H3 |
| InChI | PXJLFYGCARIYEH-UHFFFAOYSA-N |
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