Molecule
ID:83685
General Information
Molecular Formula
C₁₉H₃₁Cl
Molecular Mass
294.90244
Exact Mass
294.21142867
Charge
0
InChI
InChI=1S/C19H31Cl/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h13-17H,3-12H2,1-2H3/t13-,14?,15?,16?,17?,18?,19?/m1/s1
InChIKey
GBGACQPAYVDHJA-MGLLRRBKSA-N
Canonic Smiles
ClC1CCC2([C@@H](C1)CCC1C2CCC2(C1CCC2)C)C
Isomeric Smiles
ClC1CCC2(C3C(C4CCCC4(CC3)C)CC[C@@H]2C1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.78916
LogD (pH = 7.4)
5.78916
Log P
5.78916
Molar Refractivity
86.1667
Polarizability
34.631844
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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