Molecule

ID:60109

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂O₂
Molecular Mass
158.19826
Exact Mass
158.1055277
Charge
0
InChI
InChI=1S/C7H14N2O2/c1-9-4-2-7(8,3-5-9)6(10)11/h2-5,8H2,1H3,(H,10,11)
InChIKey
PRROBIIYGSUPNR-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)(N)C(=O)O
Isomeric Smiles
C1CN(CCC1(N)C(=O)O)C
Calculated Properties
JChem
Acid pKa
2.2950099
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.9970803
LogD (pH = 7.4)
-3.4796066
Log P
-3.2998965
Molar Refractivity
41.4943
Polarizability
16.48107
Polar Surface Area
66.56
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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