Molecule

ID:21931

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)12-10-6-4-5-9(11)7-10/h4-8H,3,11H2,1-2H3
InChIKey
NREYCUBBWJAKLJ-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1cccc(c1)N)C
Isomeric Smiles
c1c(OC(CC)C)cccc1N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2670403
LogD (pH = 7.4)
2.282355
Log P
2.282554
Molar Refractivity
50.913
Polarizability
19.519869
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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