Molecule

ID:104337

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3
InChIKey
FMCGSUUBYTWNDP-UHFFFAOYSA-N
Canonic Smiles
OC(C(N(C)C)C)c1ccccc1
Isomeric Smiles
CC(C(O)c1ccccc1)N(C)C
Calculated Properties
JChem
Acid pKa
13.882206
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4248142
LogD (pH = 7.4)
0.22741346
Log P
1.7008827
Molar Refractivity
54.982
Polarizability
21.698908
Polar Surface Area
23.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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