Molecule

ID:11261

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO
Molecular Mass
183.29054
Exact Mass
183.1623143
Charge
0
InChI
InChI=1S/C11H21NO/c1-5-7-11(13,8-6-2)10(12)9(3)4/h5-6,9-10,13H,1-2,7-8,12H2,3-4H3
InChIKey
GFFSZZBAUXRZQZ-UHFFFAOYSA-N
Canonic Smiles
C=CCC(C(C(C)C)N)(CC=C)O
Isomeric Smiles
C=CCC(CC=C)(O)C(N)C(C)C
Calculated Properties
JChem
Acid pKa
14.071519
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.0066085
LogD (pH = 7.4)
-0.4510805
Log P
2.0118673
Molar Refractivity
57.0207
Polarizability
22.680565
Polar Surface Area
46.25
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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