Molecule

ID:42871

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂
Molecular Mass
214.30612
Exact Mass
214.14699859
Charge
0
InChI
InChI=1S/C14H18N2/c15-8-11-16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-7,9-12H2
InChIKey
SHAVSWMWBQLOQB-UHFFFAOYSA-N
Canonic Smiles
N#CCN1CCC(CC1)Cc1ccccc1
Isomeric Smiles
c1cccc(c1)CC1CCN(CC1)CC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0603201
LogD (pH = 7.4)
2.434229
Log P
2.4418595
Molar Refractivity
66.4386
Polarizability
25.65026
Polar Surface Area
27.03
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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