Molecule

ID:35509

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂
Molecular Mass
214.30612
Exact Mass
214.14699859
Charge
0
InChI
InChI=1S/C14H18N2/c1-9-6-7-13-11(8-9)10-4-3-5-12(15)14(10)16(13)2/h6-8,12H,3-5,15H2,1-2H3
InChIKey
GKOUYJRKUOSKPE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c1CCCC(c1n2C)N
Isomeric Smiles
n1(c2c(c3c1ccc(c3)C)CCCC2N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.1215247
LogD (pH = 7.4)
0.9654043
Log P
2.8436677
Molar Refractivity
67.6151
Polarizability
27.236069
Polar Surface Area
30.95
Rotatable Bonds
0
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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