Molecule

ID:43181

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-4-9-5-6-11(13)10(7-9)8-12(2)3/h5-7,13H,4,8H2,1-3H3
InChIKey
FSBZQLGCTYKSMP-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(c(c1)CN(C)C)O
Isomeric Smiles
c1(c(ccc(c1)CC)O)CN(C)C
Calculated Properties
JChem
Acid pKa
8.529727
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6853102
LogD (pH = 7.4)
0.82877296
Log P
1.7945327
Molar Refractivity
56.2238
Polarizability
21.603624
Polar Surface Area
23.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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