Alternatived Products of [ 32870-98-7 ]
Product Details of [ 32870-98-7 ]
CAS No. : | 32870-98-7 |
MDL No. : | MFCD05664210 |
Formula : |
C16H10
|
Boiling Point : |
- |
Linear Structure Formula : | C14H9(CCH) |
InChI Key : | FMKVRRYQWWPOAL-UHFFFAOYSA-N |
M.W : |
202.25
|
Pubchem ID : | 182098 |
Synonyms : |
|
Calculated chemistry of [ 32870-98-7 ] Expand+
Physicochemical Properties
Num. heavy atoms : |
16 |
Num. arom. heavy atoms : |
14 |
Fraction Csp3 : |
0.0 |
Num. rotatable bonds : |
0 |
Num. H-bond acceptors : |
0.0 |
Num. H-bond donors : |
0.0 |
Molar Refractivity : |
69.39 |
TPSA : |
0.0 Ų |
Pharmacokinetics
GI absorption : |
Low |
BBB permeant : |
Yes |
P-gp substrate : |
No |
CYP1A2 inhibitor : |
Yes |
CYP2C19 inhibitor : |
Yes |
CYP2C9 inhibitor : |
No |
CYP2D6 inhibitor : |
No |
CYP3A4 inhibitor : |
No |
Log Kp (skin permeation) : |
-4.22 cm/s |
Lipophilicity
Log Po/w (iLOGP) : |
2.74 |
Log Po/w (XLOGP3) : |
4.67 |
Log Po/w (WLOGP) : |
4.05 |
Log Po/w (MLOGP) : |
5.6 |
Log Po/w (SILICOS-IT) : |
4.73 |
Consensus Log Po/w : |
4.36 |
Druglikeness
Lipinski : |
1.0 |
Ghose : |
None |
Veber : |
0.0 |
Egan : |
0.0 |
Muegge : |
1.0 |
Bioavailability Score : |
0.55 |
Water Solubility
Log S (ESOL) : |
-4.68 |
Solubility : |
0.00419 mg/ml ; 0.0000207 mol/l |
Class : |
Moderately soluble |
Log S (Ali) : |
-4.4 |
Solubility : |
0.0081 mg/ml ; 0.0000401 mol/l |
Class : |
Moderately soluble |
Log S (SILICOS-IT) : |
-5.84 |
Solubility : |
0.000295 mg/ml ; 0.00000146 mol/l |
Class : |
Moderately soluble |
Medicinal Chemistry
PAINS : |
0.0 alert |
Brenk : |
2.0 alert |
Leadlikeness : |
2.0 |
Synthetic accessibility : |
1.76 |
Safety of [ 32870-98-7 ]
Signal Word: | Danger |
Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 |
UN#: | N/A |
Hazard Statements: | H318-H413 |
Packing Group: | N/A |
GHS Pictogram: |
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