Molecule

ID:33632

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂
Molecular Mass
214.30612
Exact Mass
214.14699859
Charge
0
InChI
InChI=1S/C14H18N2/c15-12-14(13-8-4-3-5-9-13)16-10-6-1-2-7-11-16/h3-5,8-9,14H,1-2,6-7,10-11H2
InChIKey
MDTVIWLDOORMEX-UHFFFAOYSA-N
Canonic Smiles
N#CC(c1ccccc1)N1CCCCCC1
Isomeric Smiles
N1(C(C#N)c2ccccc2)CCCCCC1
Calculated Properties
JChem
Acid pKa
14.92007
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2243578
LogD (pH = 7.4)
2.9339743
Log P
2.957466
Molar Refractivity
66.1529
Polarizability
25.72386
Polar Surface Area
27.03
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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