Molecule

ID:24009

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClN₂O₂
Molecular Mass
208.68578
Exact Mass
208.09785547
Charge
0
InChI
InChI=1S/C8H16N2O2.ClH/c1-10-4-2-7(3-5-10)9-6-8(11)12;/h7,9H,2-6H2,1H3,(H,11,12);1H
InChIKey
FZYSVIGWKONYDS-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)NCC(=O)O.Cl
Isomeric Smiles
N1(CCC(NCC(=O)O)CC1)C.Cl
Calculated Properties
JChem
Acid pKa
2.2460425
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.968691
LogD (pH = 7.4)
-3.423327
Log P
-3.1856163
Molar Refractivity
46.2291
Polarizability
18.314745
Polar Surface Area
52.57
Rotatable Bonds
3
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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