Molecule

ID:58100

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO
Molecular Mass
171.27984
Exact Mass
171.1623143
Charge
0
InChI
InChI=1S/C10H21NO/c1-9(2)6-11-5-3-4-10(7-11)8-12/h9-10,12H,3-8H2,1-2H3
InChIKey
YHWDFDPQFYHWRK-UHFFFAOYSA-N
Canonic Smiles
OCC1CCCN(C1)CC(C)C
Isomeric Smiles
C1CN(CC(C1)CO)CC(C)C
Calculated Properties
JChem
Acid pKa
15.431467
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.219033
LogD (pH = 7.4)
-1.453107
Log P
1.2546897
Molar Refractivity
52.1758
Polarizability
20.570166
Polar Surface Area
23.47
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
No Data Available
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Molecule Details
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References
Bioactivity
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