Molecule

ID:68288

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6,12H,7,11H2,1-2H3
InChIKey
YXZLVWUOAINLAO-UHFFFAOYSA-N
Canonic Smiles
OCC(c1ccc(cc1)N)(C)C
Isomeric Smiles
C(C(C)(C)c1ccc(cc1)N)O
Calculated Properties
JChem
Acid pKa
15.094472
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3612127
LogD (pH = 7.4)
1.4079746
Log P
1.408605
Molar Refractivity
51.199
Polarizability
19.378721
Polar Surface Area
46.25
Rotatable Bonds
2
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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