Molecule

ID:19797

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO
Molecular Mass
165.2322
Exact Mass
165.11536411
Charge
0
InChI
InChI=1S/C10H15NO/c1-3-6-12-10-5-4-8(2)7-9(10)11/h4-5,7H,3,6,11H2,1-2H3
InChIKey
BWRYWFOSRHSJGI-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1N)C
Isomeric Smiles
c1(c(ccc(c1)C)OCCC)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3216307
LogD (pH = 7.4)
2.3786225
Log P
2.3794003
Molar Refractivity
51.5354
Polarizability
19.441395
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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