Molecule

ID:79591

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N
Molecular Mass
163.25938
Exact Mass
163.13609955
Charge
0
InChI
InChI=1S/C11H17N/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5,12H2,1H3
InChIKey
DGFTWBUZRHAHTH-UHFFFAOYSA-N
Canonic Smiles
CCCCCc1ccc(cc1)N
Isomeric Smiles
Nc1ccc(cc1)CCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.3375719
LogD (pH = 7.4)
3.4346251
Log P
3.4360158
Molar Refractivity
54.2036
Polarizability
20.649376
Polar Surface Area
26.02
Rotatable Bonds
4
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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