Molecule

ID:33551

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₂
Molecular Mass
186.25142
Exact Mass
186.13682783
Charge
0
InChI
InChI=1S/C9H18N2O2/c1-10-4-2-5-11(8-7-10)6-3-9(12)13/h2-8H2,1H3,(H,12,13)
InChIKey
BPEROZOGSOPVNQ-UHFFFAOYSA-N
Canonic Smiles
CN1CCCN(CC1)CCC(=O)O
Isomeric Smiles
N1(CCC(=O)O)CCN(CCC1)C
Calculated Properties
JChem
Acid pKa
3.8777692
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.2528841
LogD (pH = 7.4)
-2.9249847
Log P
-2.9237545
Molar Refractivity
51.6876
Polarizability
20.150518
Polar Surface Area
43.78
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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