Molecule

ID:31389

General Information
Structure
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-11-7-8-13-10-6-4-3-5-9(10)12-2/h3-6,11H,7-8H2,1-2H3
InChIKey
VOIPEKOXTFLQNY-UHFFFAOYSA-N
Canonic Smiles
CNCCOc1ccccc1OC
Isomeric Smiles
c1(c(OCCNC)cccc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8752483
LogD (pH = 7.4)
-0.75877714
Log P
1.2934998
Molar Refractivity
51.7088
Polarizability
20.573723
Polar Surface Area
30.49
Rotatable Bonds
5
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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