Molecule

ID:29255

General Information
Structure
Molecular Formula
C₁₃H₂₁NO
Molecular Mass
207.31194
Exact Mass
207.1623143
Charge
0
InChI
InChI=1S/C13H21NO/c1-11(2)8-9-15-13-7-5-4-6-12(13)10-14-3/h4-7,11,14H,8-10H2,1-3H3
InChIKey
UQYMJCCIMWGTCE-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccc1OCCC(C)C
Isomeric Smiles
c1(c(OCCC(C)C)cccc1)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.08417804
LogD (pH = 7.4)
1.3342766
Log P
2.9848416
Molar Refractivity
64.1914
Polarizability
25.45211
Polar Surface Area
21.26
Rotatable Bonds
6
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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