Molecule

ID:35871

General Information
Structure
Molecular Formula
C₇H₁₅NO₂
Molecular Mass
145.1995
Exact Mass
145.11027873
Charge
0
InChI
InChI=1S/C7H15NO2/c1-2-3-4-6(8)5-7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChIKey
FUENJGFCFZKXBX-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CC(=O)O)N
Isomeric Smiles
C(=O)(CC(N)CCCC)O
Calculated Properties
JChem
Acid pKa
4.4476004
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.3750901
LogD (pH = 7.4)
-1.3453768
Log P
-1.3458084
Molar Refractivity
38.8476
Polarizability
15.66981
Polar Surface Area
63.32
Rotatable Bonds
5
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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