Molecule

ID:52307

General Information
Structure
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,8,12H2,1-3H3
InChIKey
MPWSRGAWRAYBJK-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)C(C)(C)C
Isomeric Smiles
NCc1ccc(cc1)C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.34749687
LogD (pH = 7.4)
0.5611759
Log P
2.6440706
Molar Refractivity
53.1973
Polarizability
21.052784
Polar Surface Area
26.02
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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