Molecule

ID:82137

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO
Molecular Mass
179.25878
Exact Mass
179.13101417
Charge
0
InChI
InChI=1S/C11H17NO/c1-10(12-8-5-9-13)11-6-3-2-4-7-11/h2-4,6-7,10,12-13H,5,8-9H2,1H3/t10-/m0/s1
InChIKey
OCUYEHFIDUKNIU-JTQLQIEISA-N
Canonic Smiles
OCCCN[C@H](c1ccccc1)C
Isomeric Smiles
N([C@H](c1ccccc1)C)CCCO
Calculated Properties
JChem
Acid pKa
15.933809
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.8553307
LogD (pH = 7.4)
-0.76256996
Log P
1.3180274
Molar Refractivity
54.8825
Polarizability
21.700993
Polar Surface Area
32.26
Rotatable Bonds
5
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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