Molecule

ID:28573

General Information
Structure
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-12-10-6-4-9(5-7-10)3-2-8-11/h4-7H,2-3,8,11H2,1H3
InChIKey
NUZDQSUVPDNSSJ-UHFFFAOYSA-N
Canonic Smiles
NCCCc1ccc(cc1)OC
Isomeric Smiles
c1(ccc(cc1)CCCN)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3454167
LogD (pH = 7.4)
-0.82295954
Log P
1.6745728
Molar Refractivity
50.3506
Polarizability
19.83632
Polar Surface Area
35.25
Rotatable Bonds
4
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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