Molecule

ID:52744

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₂
Molecular Mass
143.18362
Exact Mass
143.09462866
Charge
0
InChI
InChI=1S/C7H13NO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)
InChIKey
DRNGLYHKYPNTEA-UHFFFAOYSA-N
Canonic Smiles
NC1CCC(CC1)C(=O)O
Isomeric Smiles
C1(CCC(CC1)C(=O)O)N
Calculated Properties
JChem
Acid pKa
4.485382
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.8989682
LogD (pH = 7.4)
-1.8667433
Log P
-1.8671877
Molar Refractivity
37.1729
Polarizability
14.9515705
Polar Surface Area
63.32
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
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Molecule Details
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References
Bioactivity
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