Molecule
ID:80858
General Information
Molecular Formula
C₁₇H₂₂ClN
Molecular Mass
275.81628
Exact Mass
275.14407739
Charge
0
InChI
InChI=1S/C17H22N.ClH/c1-12-13(2)15(4)17(16(5)14(12)3)11-18-9-7-6-8-10-18;/h6-10H,11H2,1-5H3;1H/q+1;/p-1
InChIKey
SLAIAGQUIJSDJU-UHFFFAOYSA-M
Canonic Smiles
Cc1c(C[n+]2ccccc2)c(C)c(c(c1C)C)C.[Cl-]
Isomeric Smiles
[n+]1(ccccc1)Cc1c(c(c(c(c1C)C)C)C)C.[Cl-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.103785
LogD (pH = 7.4)
1.103785
Log P
1.103785
Molar Refractivity
79.8751
Polarizability
29.910284
Polar Surface Area
3.88
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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