Molecule

ID:128941

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3
InChIKey
SBUQZKJEOOQSBV-UHFFFAOYSA-N
Canonic Smiles
CNC(Cc1ccc(cc1)O)C
Isomeric Smiles
Oc1ccc(cc1)CC(NC)C
Calculated Properties
JChem
Acid pKa
9.859696
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2928635
LogD (pH = 7.4)
-0.7121053
Log P
1.3266385
Molar Refractivity
50.4607
Polarizability
19.76124
Polar Surface Area
32.26
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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