Molecule

ID:35942

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6H,2,7-8,11H2,1H3
InChIKey
RBILQKHLZVEMQD-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)CN
Isomeric Smiles
c1(ccc(cc1)CN)OCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.167578
LogD (pH = 7.4)
-0.23121622
Log P
1.8206733
Molar Refractivity
50.2672
Polarizability
19.912706
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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