Molecule

ID:50174

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N
Molecular Mass
189.29666
Exact Mass
189.15174961
Charge
0
InChI
InChI=1S/C13H19N/c1-11(9-12-7-8-14-10-12)13-5-3-2-4-6-13/h2-6,11-12,14H,7-10H2,1H3
InChIKey
MKUNJVRWICYWMC-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)CC1CNCC1
Isomeric Smiles
N1CC(CC(c2ccccc2)C)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.35327953
LogD (pH = 7.4)
-0.28863084
Log P
2.8878522
Molar Refractivity
60.5516
Polarizability
24.006525
Polar Surface Area
12.03
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
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Molecule Details
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References
Bioactivity
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