Molecule

ID:125198

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N
Molecular Mass
159.22762
Exact Mass
159.10479942
Charge
0
InChI
InChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2
InChIKey
COMHUAMOJSTCMM-UHFFFAOYSA-N
Canonic Smiles
N1CC2CC(C1)c1c2cccc1
Isomeric Smiles
c12ccccc1C1CC2CNC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.5338248
LogD (pH = 7.4)
-0.7846426
Log P
1.6817955
Molar Refractivity
49.9106
Polarizability
19.483091
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
No Data Available
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Molecule Details
References
Bioactivity
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