Molecule

ID:48862

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃ClN₂O
Molecular Mass
234.76612
Exact Mass
234.14989105
Charge
0
InChI
InChI=1S/C11H22N2O.ClH/c1-4-9-7-5-6-8-13(9)10(14)11(2,3)12;/h9H,4-8,12H2,1-3H3;1H
InChIKey
RKJAGGDXEOMFCG-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1C(=O)C(N)(C)C.Cl
Isomeric Smiles
N1(C(=O)C(N)(C)C)C(CC)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4964788
LogD (pH = 7.4)
0.031128913
Log P
1.2839277
Molar Refractivity
57.911
Polarizability
22.99533
Polar Surface Area
46.33
Rotatable Bonds
2
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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