Molecule

ID:48801

General Information
Structure
Molecular Formula
C₈H₁₇ClN₂O₂
Molecular Mass
208.68578
Exact Mass
208.09785547
Charge
0
InChI
InChI=1S/C8H16N2O2.ClH/c9-4-1-8(12)10-5-2-7(11)3-6-10;/h7,11H,1-6,9H2;1H
InChIKey
PLIHQUGMYMPWMC-UHFFFAOYSA-N
Canonic Smiles
NCCC(=O)N1CCC(CC1)O.Cl
Isomeric Smiles
N1(C(=O)CCN)CCC(CC1)O.Cl
Calculated Properties
JChem
Acid pKa
15.177589
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.8860455
LogD (pH = 7.4)
-3.663308
Log P
-1.9519937
Molar Refractivity
46.0427
Polarizability
18.112263
Polar Surface Area
66.56
Rotatable Bonds
2
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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