Molecule

ID:25134

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO
Molecular Mass
171.27984
Exact Mass
171.1623143
Charge
0
InChI
InChI=1S/C10H21NO/c1-9-6-10(2)8-11(7-9)4-3-5-12/h9-10,12H,3-8H2,1-2H3
InChIKey
DMDOZRIHHKQUFD-UHFFFAOYSA-N
Canonic Smiles
OCCCN1CC(C)CC(C1)C
Isomeric Smiles
N1(CC(CC(C1)C)C)CCCO
Calculated Properties
JChem
Acid pKa
15.933374
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.333381
LogD (pH = 7.4)
-1.5674226
Log P
1.140339
Molar Refractivity
52.231
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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