Molecule

ID:57425

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO
Molecular Mass
143.22668
Exact Mass
143.13101417
Charge
0
InChI
InChI=1S/C8H17NO/c1-8(2,10)7-4-3-5-9-6-7/h7,9-10H,3-6H2,1-2H3
InChIKey
GWVNRACDDXBNBZ-UHFFFAOYSA-N
Canonic Smiles
CC(C1CCCNC1)(O)C
Isomeric Smiles
C1CNCC(C1)C(C)(C)O
Calculated Properties
JChem
Acid pKa
15.02928
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.894007
LogD (pH = 7.4)
-2.1843162
Log P
0.32449028
Molar Refractivity
42.1939
Polarizability
16.88203
Polar Surface Area
32.26
Rotatable Bonds
1
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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