Molecule

ID:19806

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO
Molecular Mass
207.31194
Exact Mass
207.1623143
Charge
0
InChI
InChI=1S/C13H21NO/c1-4-5-11(3)9-15-13-7-6-10(2)8-12(13)14/h6-8,11H,4-5,9,14H2,1-3H3
InChIKey
ZIJXNXVRQIXBOG-UHFFFAOYSA-N
Canonic Smiles
CCCC(COc1ccc(cc1N)C)C
Isomeric Smiles
c1(c(OCC(CCC)C)ccc(c1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.571098
LogD (pH = 7.4)
3.6326656
Log P
3.6335106
Molar Refractivity
65.209
Polarizability
24.977821
Polar Surface Area
35.25
Rotatable Bonds
5
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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