Molecule

ID:48848

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇ClN₂O₂
Molecular Mass
208.68578
Exact Mass
208.09785547
Charge
0
InChI
InChI=1S/C8H16N2O2.ClH/c1-8(2,9)7(12)10-4-3-6(11)5-10;/h6,11H,3-5,9H2,1-2H3;1H
InChIKey
VUYDTPTXYFTYJP-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)C(=O)C(N)(C)C.Cl
Isomeric Smiles
N1(C(=O)C(N)(C)C)CC(CC1)O.Cl
Calculated Properties
JChem
Acid pKa
14.827415
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.0279627
LogD (pH = 7.4)
-2.5004885
Log P
-1.247436
Molar Refractivity
45.6851
Polarizability
18.112263
Polar Surface Area
66.56
Rotatable Bonds
1
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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