Molecule

ID:68045

General Information
Structure
Molecular Formula
C₁₀H₁₃N
Molecular Mass
147.21692
Exact Mass
147.10479942
Charge
0
InChI
InChI=1S/C10H13N/c1-8-10-5-3-2-4-9(10)6-7-11-8/h2-5,8,11H,6-7H2,1H3
InChIKey
QPILYVQSKNWRDD-UHFFFAOYSA-N
Canonic Smiles
CC1NCCc2c1cccc2
Isomeric Smiles
C1(NCCc2ccccc12)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1750505
LogD (pH = 7.4)
-0.031580407
Log P
1.9880582
Molar Refractivity
47.0344
Polarizability
18.460087
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
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Molecule Details
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References
Bioactivity
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