Molecule

ID:14876

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁NO
Molecular Mass
207.31194
Exact Mass
207.1623143
Charge
0
InChI
InChI=1S/C13H21NO/c1-2-13(15-5-1)9-14-8-12-7-10-3-4-11(12)6-10/h3-4,10-14H,1-2,5-9H2
InChIKey
GKTMCVSDINGPBO-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNCC1CC2CC1C=C2
Isomeric Smiles
C1(C2CC(C1)C=C2)CNCC1CCCO1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.587687
LogD (pH = 7.4)
-1.1290861
Log P
1.6438158
Molar Refractivity
62.5037
Polarizability
24.471413
Polar Surface Area
21.26
Rotatable Bonds
4
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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