Molecule

ID:24775

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N
Molecular Mass
147.21692
Exact Mass
147.10479942
Charge
0
InChI
InChI=1S/C10H13N/c1-2-4-10-6-8-11-7-5-9(10)3-1/h1-4,11H,5-8H2
InChIKey
MWVMYAWMFTVYED-UHFFFAOYSA-N
Canonic Smiles
N1CCc2c(CC1)cccc2
Isomeric Smiles
N1CCc2c(CC1)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.3626416
LogD (pH = 7.4)
-0.7200679
Log P
1.8601444
Molar Refractivity
47.3706
Polarizability
18.381796
Polar Surface Area
12.03
Rotatable Bonds
0
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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