Molecule

ID:1189

General Information
Structure
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Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1
InChIKey
KWGRBVOPPLSCSI-WPRPVWTQSA-N
Canonic Smiles
CN[C@H]([C@@H](c1ccccc1)O)C
Isomeric Smiles
O[C@@H]([C@@H](NC)C)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.78
LogD (pH = 5.5)
-1.86
Log P
1.32
Rotatable Bonds
3
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
9.52
Polar Surface Area
32.26
Polarizability
18.97
Molar Refractivity
49.69
LOG S
-1.17
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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