Molecule

ID:18129

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₂
Molecular Mass
181.2316
Exact Mass
181.11027873
Charge
0
InChI
InChI=1S/C10H15NO2/c1-8(7-12-2)13-10-5-3-9(11)4-6-10/h3-6,8H,7,11H2,1-2H3
InChIKey
WIMLZWMDNHDUKB-UHFFFAOYSA-N
Canonic Smiles
COCC(Oc1ccc(cc1)N)C
Isomeric Smiles
O(c1ccc(N)cc1)C(COC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.2193316
LogD (pH = 7.4)
1.3542223
Log P
1.3562481
Molar Refractivity
52.6839
Polarizability
20.199945
Polar Surface Area
44.48
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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