Molecule

ID:17983

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8,10H,5-6,9,12H2,1H3
InChIKey
RFKNDRWCBBUQAB-UHFFFAOYSA-N
Canonic Smiles
CC(CCCc1ccccc1)N
Isomeric Smiles
NC(CCCc1ccccc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.33426872
LogD (pH = 7.4)
-0.03780183
Log P
2.6933877
Molar Refractivity
52.9072
Polarizability
21.059532
Polar Surface Area
26.02
Rotatable Bonds
4
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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