Chemical Name - 4-[4-(diethylamino)phenyl]imino-n-methyl-1-oxonaphthalene-2-carboxamide
Mol Weight - 361.444
Smiles - CCN(CC)c(cc1)ccc1N=C(C=C1C(NC)=O)c(cccc2)c2C1=O
Mol Weight - 361.444
Smiles - CCN(CC)c(cc1)ccc1N=C(C=C1C(NC)=O)c(cccc2)c2C1=O
| Property Value | |
| Mol Name | 4-[4-(diethylamino)phenyl]imino-n-methyl-1-oxonaphthalene-2-carboxamide |
| Molweight | 361.444 |
| Monoisotopic Mass | 361.179027 |
| Clogp | 2.7065 |
| Clogs | -4.287 |
| H Acceptors | 5 |
| H Donors | 1 |
| Total Surface Area | 288.76 |
| Relative Psa | 0.18216 |
| Polar Surface Area | 61.77 |
| Druglikeness | 5.1979 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.51852 |
| Molecular Flexibility | 0.40406 |
| Molecular Complexity | 0.85699 |
| Fragments | 1 |
| Non H Atoms | 27 |
| Non Ch Atoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bonds | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 5 |
| Symmetric Atoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Smiles | CCN(CC)c(cc1)ccc1N=C(C=C1C(NC)=O)c(cccc2)c2C1=O |
| InChIKey | InChI=1S/C22H23N3O2/c1-4-25(5-2)16-12-10-15(11-13-16)24-20-14-19(22(27)23-3)21(26)18-9-7-6-8-17(18)20/h6-14H,4-5H2,1-3H3,(H,23,27) |
| InChI | MIEPHHHNLFMNBK-UHFFFAOYSA-N |
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