Molecule

ID:29147

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃NO
Molecular Mass
221.33852
Exact Mass
221.17796436
Charge
0
InChI
InChI=1S/C14H23NO/c1-4-9-15-10-11-16-14-8-6-5-7-13(14)12(2)3/h5-8,12,15H,4,9-11H2,1-3H3
InChIKey
ZFKBVMRHXFCPFY-UHFFFAOYSA-N
Canonic Smiles
CCCNCCOc1ccccc1C(C)C
Isomeric Smiles
c1(c(OCCNCCC)cccc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.37472436
LogD (pH = 7.4)
1.2817235
Log P
3.5755107
Molar Refractivity
68.709
Polarizability
27.222374
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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