Molecule

ID:117105

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N
Molecular Mass
189.29666
Exact Mass
189.15174961
Charge
0
InChI
InChI=1S/C13H19N/c1-11-5-7-12(8-6-11)13-4-2-3-9-14-10-13/h5-8,13-14H,2-4,9-10H2,1H3
InChIKey
MNMJBKBAWZQKIV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C1CCCCNC1
Isomeric Smiles
N1CC(c2ccc(cc2)C)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.11801674
LogD (pH = 7.4)
0.31964847
Log P
3.1142545
Molar Refractivity
61.0442
Polarizability
23.923418
Polar Surface Area
12.03
Rotatable Bonds
1
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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