Molecule

ID:124060

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉ClN₂O₂
Molecular Mass
222.71236
Exact Mass
222.11350554
Charge
0
InChI
InChI=1S/C9H18N2O2.ClH/c1-10-5-7-11(8-6-10)4-2-3-9(12)13;/h2-8H2,1H3,(H,12,13);1H
InChIKey
VIAUFQXMPKNNPH-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)CCCC(=O)O.Cl
Isomeric Smiles
N1(CCN(CC1)C)CCCC(=O)O.Cl
Calculated Properties
JChem
Acid pKa
4.4044743
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.7093587
LogD (pH = 7.4)
-2.6913939
Log P
-2.6859841
Molar Refractivity
51.5772
Polarizability
20.150518
Polar Surface Area
43.78
Rotatable Bonds
4
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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