Molecule

ID:31197

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N
Molecular Mass
189.29666
Exact Mass
189.15174961
Charge
0
InChI
InChI=1S/C13H19N/c1-2-13(14)12-8-7-10-5-3-4-6-11(10)9-12/h7-9,13H,2-6,14H2,1H3
InChIKey
QTSMNFDLNTZOCT-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc2c(c1)CCCC2)N
Isomeric Smiles
c1c(ccc2c1CCCC2)C(N)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.4785306
LogD (pH = 7.4)
1.1540334
Log P
3.490366
Molar Refractivity
60.9564
Polarizability
23.918972
Polar Surface Area
26.02
Rotatable Bonds
2
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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