Molecule

ID:125450

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-3-11(12)8-10-6-4-9(2)5-7-10/h4-7,11H,3,8,12H2,1-2H3
InChIKey
STYLTFHVTUCTSI-UHFFFAOYSA-N
Canonic Smiles
CCC(Cc1ccc(cc1)C)N
Isomeric Smiles
c1cc(C)ccc1CC(N)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.18029696
LogD (pH = 7.4)
0.33058622
Log P
2.8401942
Molar Refractivity
53.2704
Polarizability
20.975855
Polar Surface Area
26.02
Rotatable Bonds
3
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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