Molecule

ID:48823

General Information
Structure
Molecular Formula
C₁₁H₂₃ClN₂O
Molecular Mass
234.76612
Exact Mass
234.14989105
Charge
0
InChI
InChI=1S/C11H22N2O.ClH/c1-8(2)10(12)11(14)13-7-5-4-6-9(13)3;/h8-10H,4-7,12H2,1-3H3;1H
InChIKey
NANJLPHDPDLULZ-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(=O)N1CCCCC1C)N)C.Cl
Isomeric Smiles
C(=O)(N1C(C)CCCC1)C(N)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5030249
LogD (pH = 7.4)
0.08174629
Log P
1.2161345
Molar Refractivity
57.6693
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
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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