Molecule

ID:58155

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃N
Molecular Mass
135.20622
Exact Mass
135.10479942
Charge
0
InChI
InChI=1S/C9H13N/c1-8-5-3-4-6-9(8)7-10-2/h3-6,10H,7H2,1-2H3
InChIKey
YMWQUYQBTXWNAH-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccccc1C
Isomeric Smiles
c1ccc(c(c1)CNC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1549014
LogD (pH = 7.4)
-0.24037226
Log P
2.045016
Molar Refractivity
44.3472
Polarizability
17.361803
Polar Surface Area
12.03
Rotatable Bonds
2
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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