Molecule

ID:21510

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-7(2)9-4-3-8(5-9)6-10/h7-8,10H,3-6H2,1-2H3
InChIKey
AAHDGWGNYJVYMG-UHFFFAOYSA-N
Canonic Smiles
OCC1CCN(C1)C(C)C
Isomeric Smiles
N1(CC(CC1)CO)C(C)C
Calculated Properties
JChem
Acid pKa
15.429258
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1286807
LogD (pH = 7.4)
-2.295351
Log P
0.33920085
Molar Refractivity
42.998
Polarizability
16.88203
Polar Surface Area
23.47
Rotatable Bonds
2
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
References
Bioactivity
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