Molecule

ID:1875

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-7(2)8-3-5-9(10)6-4-8/h3-7H,10H2,1-2H3
InChIKey
LRTFPLFDLJYEKT-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)N)C
Isomeric Smiles
CC(C)c1ccc(N)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
2.39
LogD (pH = 5.5)
2.30
Log P
2.39
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
4.87
Polar Surface Area
26.02
Polarizability
16.29
Molar Refractivity
44.95
LOG S
-2.68
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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