Molecule

ID:35650

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO
Molecular Mass
207.31194
Exact Mass
207.1623143
Charge
0
InChI
InChI=1S/C13H21NO/c1-10-5-3-7-13(11(10)2)14-9-12-6-4-8-15-12/h4,6,8,10-11,13-14H,3,5,7,9H2,1-2H3
InChIKey
GWSWIBYDUGAKRG-UHFFFAOYSA-N
Canonic Smiles
CC1CCCC(C1C)NCc1ccco1
Isomeric Smiles
c1(occc1)CNC1C(C(CCC1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.029372884
LogD (pH = 7.4)
1.3824253
Log P
3.0431037
Molar Refractivity
61.7313
Polarizability
24.569033
Polar Surface Area
25.17
Rotatable Bonds
3
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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