Molecule

ID:78714

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N
Molecular Mass
147.21692
Exact Mass
147.10479942
Charge
0
InChI
InChI=1S/C10H13N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2,4-5,11H,3,6-7H2,1H3
InChIKey
YIIPMCFBCZKCFB-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1NCCC2
Isomeric Smiles
N1c2c(cccc2CCC1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.351271
LogD (pH = 7.4)
2.4426038
Log P
2.4439025
Molar Refractivity
49.2036
Polarizability
17.978455
Polar Surface Area
12.03
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
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References
Bioactivity
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