Molecule

ID:19387

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N
Molecular Mass
189.29666
Exact Mass
189.15174961
Charge
0
InChI
InChI=1S/C13H19N/c1-2-11-6-8-12(9-7-11)13-5-3-4-10-14-13/h6-9,13-14H,2-5,10H2,1H3
InChIKey
FUVWZPSZDYEDOL-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)C1CCCCN1
Isomeric Smiles
N1C(c2ccc(cc2)CC)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.19539659
LogD (pH = 7.4)
1.0701466
Log P
3.3997178
Molar Refractivity
60.7604
Polarizability
24.001936
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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