Molecule

ID:34860

General Information
Structure
Molecular Formula
C₁₄H₁₇N
Molecular Mass
199.29148
Exact Mass
199.13609955
Charge
0
InChI
InChI=1S/C14H17N/c1-12-5-7-13(8-6-12)14(11-15)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3
InChIKey
JFUXEEYLCATFIB-UHFFFAOYSA-N
Canonic Smiles
N#CC1(CCCCC1)c1ccc(cc1)C
Isomeric Smiles
N#CC1(c2ccc(cc2)C)CCCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1513453
LogD (pH = 7.4)
4.1513453
Log P
4.1513453
Molar Refractivity
62.4624
Polarizability
24.125332
Polar Surface Area
23.79
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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