Molecule

ID:18542

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-8-7-9(5-6-11)3-4-10(8)12-2/h3-4,7H,5-6,11H2,1-2H3
InChIKey
NBFFCNUWKJZAKU-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(c(c1)C)OC
Isomeric Smiles
c1(c(ccc(c1)CCN)OC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2680895
LogD (pH = 7.4)
-0.58760697
Log P
1.7434256
Molar Refractivity
50.7908
Polarizability
19.756807
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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