Molecule

ID:79589

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉N
Molecular Mass
177.28596
Exact Mass
177.15174961
Charge
0
InChI
InChI=1S/C12H19N/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6,13H2,1H3
InChIKey
OVEMTTZEBOCJDV-UHFFFAOYSA-N
Canonic Smiles
CCCCCCc1ccc(cc1)N
Isomeric Smiles
Nc1ccc(cc1)CCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.7982368
LogD (pH = 7.4)
3.8794432
Log P
3.8805845
Molar Refractivity
58.8046
Polarizability
22.496403
Polar Surface Area
26.02
Rotatable Bonds
5
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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