Molecule

ID:108604

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉NO
Molecular Mass
145.24256
Exact Mass
145.14666423
Charge
0
InChI
InChI=1S/C8H19NO/c1-7(2)9(5-6-10)8(3)4/h7-8,10H,5-6H2,1-4H3
InChIKey
ZYWUVGFIXPNBDL-UHFFFAOYSA-N
Canonic Smiles
OCCN(C(C)C)C(C)C
Isomeric Smiles
CC(C)N(CCO)C(C)C
Calculated Properties
JChem
Acid pKa
15.59226
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4220326
LogD (pH = 7.4)
-1.5992907
Log P
1.0468334
Molar Refractivity
44.6152
Polarizability
17.615318
Polar Surface Area
23.47
Rotatable Bonds
4
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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