Molecule

ID:73009

General Information
Structure
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Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3
InChIKey
KUBCEEMXQZUPDQ-UHFFFAOYSA-N
Canonic Smiles
CN(CCc1ccc(cc1)O)C
Isomeric Smiles
c1c(ccc(c1)CCN(C)C)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.35
LogD (pH = 5.5)
-1.27
Log P
1.56
Rotatable Bonds
3
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.88
Polar Surface Area
23.47
Polarizability
19.35
Molar Refractivity
51.34
LOG S
-0.75
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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