Molecule
ID:28933
General Information
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-4-5-12-11-7-9(2)6-10(3)8-11/h6-8,12H,4-5H2,1-3H3
InChIKey
YYLLHTCECJVDFD-UHFFFAOYSA-N
Canonic Smiles
CCCNc1cc(C)cc(c1)C
Isomeric Smiles
c1(cc(cc(c1)C)C)NCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1682498
LogD (pH = 7.4)
3.349319
Log P
3.3521972
Molar Refractivity
55.6068
Polarizability
20.568981
Polar Surface Area
12.03
Rotatable Bonds
3
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
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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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