Molecule

ID:60295

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₂
Molecular Mass
145.1995
Exact Mass
145.11027873
Charge
0
InChI
InChI=1S/C7H15NO2/c1-3-5(4-2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)
InChIKey
IXLUUORVBOXZGB-UHFFFAOYSA-N
Canonic Smiles
CCC(C(C(=O)O)N)CC
Isomeric Smiles
C(C(N)C(=O)O)(CC)CC
Calculated Properties
JChem
Acid pKa
2.849233
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0641605
LogD (pH = 7.4)
-1.0660149
Log P
-1.0636833
Molar Refractivity
38.6949
Polarizability
15.66981
Polar Surface Area
63.32
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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