Molecule

ID:50202

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO
Molecular Mass
169.26396
Exact Mass
169.14666423
Charge
0
InChI
InChI=1S/C10H19NO/c1-3-9(8-11-5-1)7-10-4-2-6-12-10/h9-11H,1-8H2
InChIKey
LJPKXPBVQJBBQK-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CC1CCCO1
Isomeric Smiles
N1CC(CC2OCCC2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.095273
LogD (pH = 7.4)
-1.7189763
Log P
1.1390415
Molar Refractivity
49.7991
Polarizability
19.910645
Polar Surface Area
21.26
Rotatable Bonds
2
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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