Molecule

ID:31274

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N
Molecular Mass
161.2435
Exact Mass
161.12044949
Charge
0
InChI
InChI=1S/C11H15N/c1-8(12)10-6-5-9-3-2-4-11(9)7-10/h5-8H,2-4,12H2,1H3
InChIKey
AIZOWKLMMYHPJI-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc2c(c1)CCC2)N
Isomeric Smiles
c1c(ccc2c1CCC2)C(N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.48672777
LogD (pH = 7.4)
0.21647772
Log P
2.523275
Molar Refractivity
51.8314
Polarizability
20.224909
Polar Surface Area
26.02
Rotatable Bonds
1
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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