Molecule

ID:108030

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N
Molecular Mass
177.28596
Exact Mass
177.15174961
Charge
0
InChI
InChI=1S/C12H19N/c1-3-4-10-13-11(2)12-8-6-5-7-9-12/h5-9,11,13H,3-4,10H2,1-2H3
InChIKey
SHHMVRIBSOJMCK-UHFFFAOYSA-N
Canonic Smiles
CCCCNC(c1ccccc1)C
Isomeric Smiles
CCCCNC(C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.05249875
LogD (pH = 7.4)
0.7464163
Log P
3.2720687
Molar Refractivity
57.5984
Polarizability
22.984324
Polar Surface Area
12.03
Rotatable Bonds
5
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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