Molecule

ID:123311

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N
Molecular Mass
177.28596
Exact Mass
177.15174961
Charge
0
InChI
InChI=1S/C12H19N/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9H,13H2,1-4H3
InChIKey
WKBALTUBRZPIPZ-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccc(c1N)C(C)C)C
Isomeric Smiles
c1(c(C(C)C)cccc1C(C)C)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6208081
LogD (pH = 7.4)
3.634165
Log P
3.6343381
Molar Refractivity
59.14
Polarizability
22.41357
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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