Molecule

ID:21929

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4-8H,3,11H2,1-2H3
InChIKey
KBARUYSFNLJALB-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1ccc(cc1)N)C
Isomeric Smiles
O(c1ccc(N)cc1)C(CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.121834
LogD (pH = 7.4)
2.280106
Log P
2.282554
Molar Refractivity
50.913
Polarizability
19.518654
Polar Surface Area
35.25
Rotatable Bonds
3
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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