Molecule

ID:8310

General Information
Structure
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6-7,10H2,1H3
InChIKey
VKJXAQYPOTYDLO-UHFFFAOYSA-N
Canonic Smiles
NCCc1ccc(cc1)C
Isomeric Smiles
c1c(ccc(c1)CCN)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.109839
LogD (pH = 7.4)
-0.42050213
Log P
1.9010968
Molar Refractivity
44.3276
Polarizability
17.282064
Polar Surface Area
26.02
Rotatable Bonds
2
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
References
Bioactivity
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