Molecule

ID:20495

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-3-6-12-9-4-5-10(11)8(2)7-9/h4-5,7H,3,6,11H2,1-2H3
InChIKey
NATPSDRPRXUTKZ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(c(c1)C)N
Isomeric Smiles
c1(c(ccc(c1)OCCC)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2549067
LogD (pH = 7.4)
2.3775856
Log P
2.3794003
Molar Refractivity
51.5354
Polarizability
19.439947
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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