Molecule

ID:68449

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N
Molecular Mass
147.21692
Exact Mass
147.10479942
Charge
0
InChI
InChI=1S/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6,11H2
InChIKey
SODWJACROGQSMM-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1CCCC2
Isomeric Smiles
c1(cccc2CCCCc12)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5588567
LogD (pH = 7.4)
2.596078
Log P
2.596574
Molar Refractivity
48.2406
Polarizability
17.97827
Polar Surface Area
26.02
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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