Molecule

ID:108020

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKey
HYVGFUIWHXLVNV-UHFFFAOYSA-N
Canonic Smiles
OCCN(c1ccccc1)CC
Isomeric Smiles
CCN(CCO)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.579251
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.740185
LogD (pH = 7.4)
1.7478964
Log P
1.7479956
Molar Refractivity
51.5275
Polarizability
19.460972
Polar Surface Area
23.47
Rotatable Bonds
4
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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