Molecule

ID:31663

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-9-4-6-10(7-5-9)11(2,3)8-12/h4-7H,8,12H2,1-3H3
InChIKey
QTFRWGMKUZJXQZ-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccc(cc1)C)(C)C
Isomeric Smiles
C(c1ccc(cc1)C)(CN)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.3456702
LogD (pH = 7.4)
0.5785037
Log P
2.6440706
Molar Refractivity
53.1973
Polarizability
20.974304
Polar Surface Area
26.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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