Molecule

ID:14641

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-3,5-6H,4,7-8,11H2,1H3
InChIKey
HQOJWFLRPSWMBC-UHFFFAOYSA-N
Canonic Smiles
NCCCOc1ccccc1C
Isomeric Smiles
c1(c(cccc1)C)OCCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4243524
LogD (pH = 7.4)
-0.8259708
Log P
1.5919719
Molar Refractivity
50.3776
Polarizability
19.838799
Polar Surface Area
35.25
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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