Temporary LOTUS id | LTS0254484 |
Name | Naphthalene |
Canonical SMILES | c1ccc2ccccc2c1 |
2D SMILES | c1ccc2ccccc2c1 |
IUPAC name | naphthalene |
InChI | InChI=1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H |
InChIKey | UFWIBTONFRDIAS-UHFFFAOYSA-N |
Deep SMILES | could not be computed |
Murcko Framework | c1ccc2ccccc2c1 |
Pathway | Superclass | Class |
Shikimates and Phenylpropanoids | - | - |
Total atom number | 18 |
Heavy atom number | 10 |
Bond count | 11 |
Number of carbons | 10 |
Minimal number of rings | 2 |
Maximal number of rings | 3 |
NP-likeness score | 1 |
Alogp | 2.74 |
Alogp2 | 7.5 |
Apol | 22.9343 |
Bpol | 8.7457 |
EccentricConnectivityIndexDescriptor | 90 |
FmfDescriptor | 1 |
Fsp3 | 0 |
FragmentComplexityDescriptor | 271 |
PetitjeanNumber | 0.4 |
LipinskiRuleOf5Failures | 0 |
WienerPathNumber | 109 |
Xlogp | 3.288 |
ZagrebIndex | 50 |
TopoPSA | 0 |