Molecule

ID:17418

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N
Molecular Mass
189.29666
Exact Mass
189.15174961
Charge
0
InChI
InChI=1S/C13H19N/c1-2-4-12(5-3-1)6-7-13-8-10-14-11-9-13/h1-5,13-14H,6-11H2
InChIKey
WFTPSTRUUZKFRH-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCc1ccccc1
Isomeric Smiles
N1CCC(CCc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.2641401
LogD (pH = 7.4)
0.19218554
Log P
2.967448
Molar Refractivity
60.681
Polarizability
24.00741
Polar Surface Area
12.03
Rotatable Bonds
3
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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