Molecule

ID:48847

General Information
Structure
Molecular Formula
C₈H₁₇ClN₂O₂
Molecular Mass
208.68578
Exact Mass
208.09785547
Charge
0
InChI
InChI=1S/C8H16N2O2.ClH/c1-8(2,9)7(11)10-3-5-12-6-4-10;/h3-6,9H2,1-2H3;1H
InChIKey
QDCOOHOELLXQOP-UHFFFAOYSA-N
Canonic Smiles
O=C(C(N)(C)C)N1CCOCC1.Cl
Isomeric Smiles
C(=O)(N1CCOCC1)C(N)(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.5045464
LogD (pH = 7.4)
-1.9770538
Log P
-0.72403634
Molar Refractivity
45.9007
Polarizability
18.182564
Polar Surface Area
55.56
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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