Molecule

ID:57192

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO
Molecular Mass
171.27984
Exact Mass
171.1623143
Charge
0
InChI
InChI=1S/C10H21NO/c1-9(2)6-10(8-12)4-3-5-11-7-10/h9,11-12H,3-8H2,1-2H3
InChIKey
IJCZQIJVTYCOKQ-UHFFFAOYSA-N
Canonic Smiles
OCC1(CCCNC1)CC(C)C
Isomeric Smiles
C1CNCC(C1)(CC(C)C)CO
Calculated Properties
JChem
Acid pKa
15.071278
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.9157597
LogD (pH = 7.4)
-1.1172782
Log P
1.2958466
Molar Refractivity
51.2304
Polarizability
20.570166
Polar Surface Area
32.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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