Molecule

ID:29152

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO
Molecular Mass
207.31194
Exact Mass
207.1623143
Charge
0
InChI
InChI=1S/C13H21NO/c1-4-9-14-10-12-7-5-6-8-13(12)15-11(2)3/h5-8,11,14H,4,9-10H2,1-3H3
InChIKey
VJOUSEKDBOXFMS-UHFFFAOYSA-N
Canonic Smiles
CCCNCc1ccccc1OC(C)C
Isomeric Smiles
c1(c(CNCCC)cccc1)OC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.10729237
LogD (pH = 7.4)
1.1494741
Log P
3.0266366
Molar Refractivity
64.2092
Polarizability
25.451954
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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