Molecule

ID:56989

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO
Molecular Mass
129.2001
Exact Mass
129.11536411
Charge
0
InChI
InChI=1S/C7H15NO/c8-7(6-9)4-2-1-3-5-7/h9H,1-6,8H2
InChIKey
VDPLLINNMXFNQX-UHFFFAOYSA-N
Canonic Smiles
OCC1(N)CCCCC1
Isomeric Smiles
C1C(CCCC1)(N)CO
Calculated Properties
JChem
Acid pKa
14.784953
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.6148052
LogD (pH = 7.4)
-2.1481245
Log P
0.40747836
Molar Refractivity
37.1149
Polarizability
15.038956
Polar Surface Area
46.25
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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