Molecule

ID:35873

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₂
Molecular Mass
145.1995
Exact Mass
145.11027873
Charge
0
InChI
InChI=1S/C7H15NO2/c1-5(2)3-6(8)4-7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)
InChIKey
MLYMSIKVLAPCAK-UHFFFAOYSA-N
Canonic Smiles
CC(CC(CC(=O)O)N)C
Isomeric Smiles
C(C(=O)O)C(N)CC(C)C
Calculated Properties
JChem
Acid pKa
4.4476004
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.5326376
LogD (pH = 7.4)
-1.5029292
Log P
-1.5033578
Molar Refractivity
38.7952
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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