Molecule

ID:125622

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N
Molecular Mass
147.21692
Exact Mass
147.10479942
Charge
0
InChI
InChI=1S/C10H13N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h5-7H,3-4H2,1-2H3/t7-/m0/s1
InChIKey
ZHQQRIUYLMXDPP-ZETCQYMHSA-N
Canonic Smiles
C[C@H]1CCc2c1cncc2C
Isomeric Smiles
C[C@H]1CCc2c1cncc2C
Calculated Properties
JChem
LogD (pH = 7.4)
2.51
LogD (pH = 5.5)
1.80
Log P
2.56
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
6.58
Polar Surface Area
12.89
Polarizability
17.34
Molar Refractivity
46.37
LOG S
-2.14
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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