Molecule

ID:9910

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO
Molecular Mass
207.31194
Exact Mass
207.1623143
Charge
0
InChI
InChI=1S/C13H21NO/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10H,2-6,11,14H2,1H3
InChIKey
LTGYTOOKQWFTQG-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)N
Isomeric Smiles
c1c(ccc(c1)N)OCCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.4995747
LogD (pH = 7.4)
3.6420927
Log P
3.6442535
Molar Refractivity
64.8982
Polarizability
25.05579
Polar Surface Area
35.25
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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