Molecule

ID:29341

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-4-10-15-13-5-7-14(8-6-13)16-11-9-12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKey
MFTRBOMGGQNNAN-UHFFFAOYSA-N
Canonic Smiles
CCCNc1ccc(cc1)OCCC(C)C
Isomeric Smiles
c1(NCCC)ccc(cc1)OCCC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1413922
LogD (pH = 7.4)
3.760566
Log P
3.7786012
Molar Refractivity
70.4098
Polarizability
26.900911
Polar Surface Area
21.26
Rotatable Bonds
7
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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