Molecule

ID:30794

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅N
Molecular Mass
161.2435
Exact Mass
161.12044949
Charge
0
InChI
InChI=1S/C11H15N/c12-11(8-4-5-9-11)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,12H2
InChIKey
YXAQCAOJLDGGDZ-UHFFFAOYSA-N
Canonic Smiles
NC1(CCCC1)c1ccccc1
Isomeric Smiles
C1(c2ccccc2)(N)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.64258015
LogD (pH = 7.4)
-0.121844865
Log P
2.3774848
Molar Refractivity
50.8342
Polarizability
20.39017
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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