Molecule

ID:46406

General Information
Structure
Molecular Formula
C₁₆H₂₆ClNO
Molecular Mass
283.83674
Exact Mass
283.17029214
Charge
0
InChI
InChI=1S/C16H25NO.ClH/c1-16(2,3)15-6-4-13(5-7-15)11-18-12-14-8-9-17-10-14;/h4-7,14,17H,8-12H2,1-3H3;1H
InChIKey
MBHBYUVZWLWESA-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)COCC1CNCC1)(C)C.Cl
Isomeric Smiles
C(c1ccc(cc1)COCC1CNCC1)(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.14505205
LogD (pH = 7.4)
-0.03844005
Log P
3.0954258
Molar Refractivity
76.5656
Polarizability
30.18424
Polar Surface Area
21.26
Rotatable Bonds
5
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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