Molecule

ID:57409

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO
Molecular Mass
169.26396
Exact Mass
169.14666423
Charge
0
InChI
InChI=1S/C10H19NO/c12-10-6-4-5-9(10)11-7-2-1-3-8-11/h9-10,12H,1-8H2/t9-,10-/m1/s1
InChIKey
YJEHWGWZIACGHM-NXEZZACHSA-N
Canonic Smiles
O[C@@H]1CCC[C@H]1N1CCCCC1
Isomeric Smiles
N1([C@H]2[C@H](O)CCC2)CCCCC1
Calculated Properties
JChem
Acid pKa
14.596865
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.1471393
LogD (pH = 7.4)
-1.309497
Log P
1.3203338
Molar Refractivity
49.9048
Polarizability
19.837076
Polar Surface Area
23.47
Rotatable Bonds
1
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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