Molecule

ID:48870

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃ClN₂O₂
Molecular Mass
250.76552
Exact Mass
250.14480567
Charge
0
InChI
InChI=1S/C11H22N2O2.ClH/c1-11(2,12)10(14)13(3)8-9-4-6-15-7-5-9;/h9H,4-8,12H2,1-3H3;1H
InChIKey
TVPKOQGGLNLNFO-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C(N)(C)C)CC1CCOCC1.Cl
Isomeric Smiles
C(=O)(N(CC1CCOCC1)C)C(N)(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8644366
LogD (pH = 7.4)
-1.3371409
Log P
-0.08374906
Molar Refractivity
60.1197
Polarizability
23.692034
Polar Surface Area
55.56
Rotatable Bonds
3
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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