Molecule

ID:84640

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N
Molecular Mass
199.29148
Exact Mass
199.13609955
Charge
0
InChI
InChI=1S/C14H17N/c1-2-4-9-13-11(7-3-1)12-8-5-6-10-14(12)15-13/h5-6,8,10,15H,1-4,7,9H2
InChIKey
TYLZSGIRJRUUSQ-UHFFFAOYSA-N
Canonic Smiles
C1CCCc2c(CC1)[nH]c1c2cccc1
Isomeric Smiles
[nH]1c2c(c3ccccc13)CCCCCC2
Calculated Properties
JChem
Acid pKa
17.278961
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
4.177493
LogD (pH = 7.4)
4.177493
Log P
4.177493
Molar Refractivity
63.8602
Polarizability
25.814552
Polar Surface Area
15.79
Rotatable Bonds
0
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
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References
Bioactivity
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